1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide

C16H19F2N5O — CID 125173875

IUPAC1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ccn(C(F)F)n1
InChIInChI=1S/C16H19F2N5O/c17-16(18)23-8-5-14(21-23)15(24)20-13-4-2-7-22(11-13)10-12-3-1-6-19-9-12/h1,3,5-6,8-9,13,16H,2,4,7,10-11H2,(H,20,24)/t13-/m1/s1
InChIKeyCILZZFYLJSYGSK-CYBMUJFWSA-N
MW335.36 g/mol
LogP2.07
Rot. Bonds5

About 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 125173875) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID125173875
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ccn(C(F)F)n1
InChIInChI=1S/C16H19F2N5O/c17-16(18)23-8-5-14(21-23)15(24)20-13-4-2-7-22(11-13)10-12-3-1-6-19-9-12/h1,3,5-6,8-9,13,16H,2,4,7,10-11H2,(H,20,24)/t13-/m1/s1
InChIKeyCILZZFYLJSYGSK-CYBMUJFWSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 91788256
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125155616
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-4-(tetrazol-1-yl)butanamide
CID 125442193

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide (CID 125173875) is 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide is O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is CILZZFYLJSYGSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-16(18)23-8-5-14(21-23)15(24)20-13-4-2-7-22(11-13)10-12-3-1-6-19-9-12/h1,3,5-6,8-9,13,16H,2,4,7,10-11H2,(H,20,24)/t13-/m1/s1.
What are the key properties of 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 125173875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).