N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide

C17H15ClN4O — CID 97066368

IUPACN-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C17H15ClN4O/c1-11-14(10-20-22-11)17(23)21-16(15-7-2-3-8-19-15)12-5-4-6-13(18)9-12/h2-10,16H,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyZUDZNWYYQCZQBJ-INIZCTEOSA-N
MW326.79 g/mol
LogP3.29
Rot. Bonds4

About N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 97066368) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID97066368
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C17H15ClN4O/c1-11-14(10-20-22-11)17(23)21-16(15-7-2-3-8-19-15)12-5-4-6-13(18)9-12/h2-10,16H,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyZUDZNWYYQCZQBJ-INIZCTEOSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
CID 133364201
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea
CID 71970121
N-[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 97084688
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 51927508

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 97066368) is N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZUDZNWYYQCZQBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-14(10-20-22-11)17(23)21-16(15-7-2-3-8-19-15)12-5-4-6-13(18)9-12/h2-10,16H,1H3,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97066368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).