N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C17H15ClN4O3 — CID 53087480

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cc(-c3cccnc3)n[nH]2)c(OC)c1
InChIInChI=1S/C17H15ClN4O3/c1-24-11-6-12(18)16(15(7-11)25-2)20-17(23)14-8-13(21-22-14)10-4-3-5-19-9-10/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyMXIIANJLRXVTIC-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.39
Rot. Bonds5

About N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 53087480) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID53087480
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2cc(-c3cccnc3)n[nH]2)c(OC)c1
InChIInChI=1S/C17H15ClN4O3/c1-24-11-6-12(18)16(15(7-11)25-2)20-17(23)14-8-13(21-22-14)10-4-3-5-19-9-10/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyMXIIANJLRXVTIC-UHFFFAOYSA-N
XLogP3.39
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352037
N-(2-chloro-4,6-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20918282
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087828
N-(2-methyl-4-pyridinyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 110676539
methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate
CID 137027827
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 71828964
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087479
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53014348

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 53087480) is N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is COc1cc(Cl)c(NC(=O)c2cc(-c3cccnc3)n[nH]2)c(OC)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is MXIIANJLRXVTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-11-6-12(18)16(15(7-11)25-2)20-17(23)14-8-13(21-22-14)10-4-3-5-19-9-10/h3-9H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53087480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).