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

C25H32F2N6O — CID 160794204

IUPAC1-[5-(cyclopropylmethylamino)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(NCC5CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C25H32F2N6O/c1-15(2)17-5-7-19(8-6-17)33-14-18(23(31-33)24(26)27)11-21(34)20-13-29-32-10-9-22(30-25(20)32)28-12-16-3-4-16/h9-10,13-17,19,24H,3-8,11-12H2,1-2H3,(H,28,30)
InChIKeySCFKEIQVYADFBI-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.50
Rot. Bonds9

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

1-[5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone (PubChem CID 160794204) has the molecular formula C25H32F2N6O and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-[5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone
PubChem CID160794204
Molecular FormulaC25H32F2N6O
Molecular Weight470.57 g/mol
Exact Mass470.26
IUPAC Name1-[5-(cyclopropylmethylamino)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(NCC5CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C25H32F2N6O/c1-15(2)17-5-7-19(8-6-17)33-14-18(23(31-33)24(26)27)11-21(34)20-13-29-32-10-9-22(30-25(20)32)28-12-16-3-4-16/h9-10,13-17,19,24H,3-8,11-12H2,1-2H3,(H,28,30)
InChIKeySCFKEIQVYADFBI-UHFFFAOYSA-N
XLogP5.50
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(cyclopropylmethylamino)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
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769220
US10329294, Example 220
CID 134272566
US20240368194, Example 4
CID 172879066
5-cyclopropyl-7-(difluoromethyl)-N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2236706
5-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769553
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4770401
5-cyclopropyl-N-{3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4771906
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19575804
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4768384
5-cyclopropyl-7-(difluoromethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769751
N-(4-tert-butylcyclohexyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4770680

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylmethylamino)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-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone (CID 160794204) is 1-[5-(cyclopropylmethylamino)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-(cyclopropylmethylamino)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-(cyclopropylmethylamino)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(NCC5CC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of 1-[5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone?
The InChIKey is SCFKEIQVYADFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N6O/c1-15(2)17-5-7-19(8-6-17)33-14-18(23(31-33)24(26)27)11-21(34)20-13-29-32-10-9-22(30-25(20)32)28-12-16-3-4-16/h9-10,13-17,19,24H,3-8,11-12H2,1-2H3,(H,28,30).
What are the key properties of 1-[5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone?
1-[5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone has a molecular weight of 470.57 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 160794204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).