2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide

C19H24F2N6O2 — CID 19338679

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C19H24F2N6O2/c1-25-17(19(29)26-7-3-2-4-8-26)14(10-22-25)23-16(28)11-27-15(12-5-6-12)9-13(24-27)18(20)21/h9-10,12,18H,2-8,11H2,1H3,(H,23,28)
InChIKeyWSAGQQLEICPGOF-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.70
Rot. Bonds6

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide (PubChem CID 19338679) has the molecular formula C19H24F2N6O2 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
PubChem CID19338679
Molecular FormulaC19H24F2N6O2
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C19H24F2N6O2/c1-25-17(19(29)26-7-3-2-4-8-26)14(10-22-25)23-16(28)11-27-15(12-5-6-12)9-13(24-27)18(20)21/h9-10,12,18H,2-8,11H2,1H3,(H,23,28)
InChIKeyWSAGQQLEICPGOF-UHFFFAOYSA-N
XLogP2.70
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
4-bromo-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-methylpyrazole-5-carboxamide
CID 4770778
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(1,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 843717
N-cyclopentyl-4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17025340
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]acetamide
CID 19584805
4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]piperidine
CID 29124389
6-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-methyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 124207754
[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 138035400
[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 164637898
4-({[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4768284

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide (CID 19338679) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide is Cn1ncc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C(=O)N1CCCCC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The InChIKey is WSAGQQLEICPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N6O2/c1-25-17(19(29)26-7-3-2-4-8-26)14(10-22-25)23-16(28)11-27-15(12-5-6-12)9-13(24-27)18(20)21/h9-10,12,18H,2-8,11H2,1H3,(H,23,28).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide has a molecular weight of 406.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19338679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).