N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide

C17H14F2N4O — CID 97212722

IUPACN-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H](c1ccncc1)c1cc(F)ccc1F
InChIInChI=1S/C17H14F2N4O/c1-10-14(9-21-23-10)17(24)22-16(11-4-6-20-7-5-11)13-8-12(18)2-3-15(13)19/h2-9,16H,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyJCJKCZQNVPYZIP-INIZCTEOSA-N
MW328.32 g/mol
LogP2.91
Rot. Bonds4

About N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 97212722) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID97212722
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H](c1ccncc1)c1cc(F)ccc1F
InChIInChI=1S/C17H14F2N4O/c1-10-14(9-21-23-10)17(24)22-16(11-4-6-20-7-5-11)13-8-12(18)2-3-15(13)19/h2-9,16H,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyJCJKCZQNVPYZIP-INIZCTEOSA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide
CID 97213854
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97052098
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066368
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 97212722) is N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@@H](c1ccncc1)c1cc(F)ccc1F.
What is the InChIKey of N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JCJKCZQNVPYZIP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-14(9-21-23-10)17(24)22-16(11-4-6-20-7-5-11)13-8-12(18)2-3-15(13)19/h2-9,16H,1H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97212722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).