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

C18H17ClN4O — CID 96527928

IUPACN-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H17ClN4O/c1-12-11-16(22-21-12)18(24)23(2)17(14-7-9-20-10-8-14)13-3-5-15(19)6-4-13/h3-11,17H,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyUXXZMZZSWGPTGL-KRWDZBQOSA-N
MW340.81 g/mol
LogP3.63
Rot. Bonds4

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

N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 96527928) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID96527928
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C18H17ClN4O/c1-12-11-16(22-21-12)18(24)23(2)17(14-7-9-20-10-8-14)13-3-5-15(19)6-4-13/h3-11,17H,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyUXXZMZZSWGPTGL-KRWDZBQOSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 95234142
N,5-dimethyl-N-(1-thiophen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 87021283
N,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 13405305
4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid
CID 110835292
N,N',5-trimethyl-1H-pyrazole-3-carbohydrazide
CID 13405307
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55746193
N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 78861160
N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 119035230
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103872553
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
4-[dimethylamino(pyridin-4-yl)methyl]benzoic acid
CID 116908451
N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78865955

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 96527928) is N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)[C@H](c2ccncc2)c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is UXXZMZZSWGPTGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-11-16(22-21-12)18(24)23(2)17(14-7-9-20-10-8-14)13-3-5-15(19)6-4-13/h3-11,17H,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96527928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).