1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone

C26H34F2N6O — CID 162119383

IUPAC1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone
SMILESCC(C)C1CCC(n2cc(CC(=O)c3cnn4ccc(N(C)CC5CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C26H34F2N6O/c1-16(2)18-6-8-20(9-7-18)34-15-19(24(31-34)25(27)28)12-22(35)21-13-29-33-11-10-23(30-26(21)33)32(3)14-17-4-5-17/h10-11,13,15-18,20,25H,4-9,12,14H2,1-3H3
InChIKeyZHEZXEBSQIQIIQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.52
Rot. Bonds9

About 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone

1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone (PubChem CID 162119383) has the molecular formula C26H34F2N6O and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone
PubChem CID162119383
Molecular FormulaC26H34F2N6O
Molecular Weight484.60 g/mol
Exact Mass484.28
IUPAC Name1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone
SMILESCC(C)C1CCC(n2cc(CC(=O)c3cnn4ccc(N(C)CC5CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C26H34F2N6O/c1-16(2)18-6-8-20(9-7-18)34-15-19(24(31-34)25(27)28)12-22(35)21-13-29-33-11-10-23(30-26(21)33)32(3)14-17-4-5-17/h10-11,13,15-18,20,25H,4-9,12,14H2,1-3H3
InChIKeyZHEZXEBSQIQIIQ-UHFFFAOYSA-N
XLogP5.52
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone with MolForge

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5-Cyclopropyl-7-(difluoromethyl)-3-(1-pyrrolidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 1256831
1-[5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]-2-(4-methylphenyl)pyrrolidine
CID 20895569
1-[5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]-2-(3-methylphenyl)pyrrolidine
CID 20895575
1-[5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]-2-(2-methylphenyl)pyrrolidine
CID 45924766
N,N-dicyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 997027
(3-Methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 16671121
(1-Ethyl-3-methylpyrazol-4-yl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 92412666
(1-Ethyl-3,5-dimethylpyrazol-4-yl)-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 95849267
(1-Ethyl-5-methylpyrazol-4-yl)-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 110242505
(1,3-Dimethylpyrazol-4-yl)-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 110242506
(1-Ethyl-3-methylpyrazol-4-yl)-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 126468493

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone (CID 162119383) is 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone is CC(C)C1CCC(n2cc(CC(=O)c3cnn4ccc(N(C)CC5CC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone?
The InChIKey is ZHEZXEBSQIQIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N6O/c1-16(2)18-6-8-20(9-7-18)34-15-19(24(31-34)25(27)28)12-22(35)21-13-29-33-11-10-23(30-26(21)33)32(3)14-17-4-5-17/h10-11,13,15-18,20,25H,4-9,12,14H2,1-3H3.
What are the key properties of 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone?
1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone has a molecular weight of 484.60 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cyclopropylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 162119383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).