N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide

C20H17ClN4O2 — CID 157090196

IUPACN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2c1C=CC2
InChIInChI=1S/C20H17ClN4O2/c1-25-11-17(19(24-25)15-8-13(21)6-7-18(15)27-2)23-20(26)16-10-22-9-12-4-3-5-14(12)16/h3,5-11H,4H2,1-2H3,(H,23,26)
InChIKeyRATMQZWTYHHSHZ-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.97
Rot. Bonds4

About N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide

N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 157090196) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID157090196
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2c1C=CC2
InChIInChI=1S/C20H17ClN4O2/c1-25-11-17(19(24-25)15-8-13(21)6-7-18(15)27-2)23-20(26)16-10-22-9-12-4-3-5-14(12)16/h3,5-11H,4H2,1-2H3,(H,23,26)
InChIKeyRATMQZWTYHHSHZ-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
CID 142427436
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide
CID 176543592
N-[3-(5-chloro-2-methoxyphenyl)-1-(3,3,3-trifluoroprop-1-enyl)pyrazol-4-yl]pyrazolo[1,5-c]pyrimidine-3-carboxamide
CID 70496819
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497374
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496734
N-[3-(5-chloro-2-methoxyphenyl)-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496856
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-[1-(1-amino-1-oxopropan-2-yl)-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496673
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopropanecarbonylamino)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497231
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749032

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide (CID 157090196) is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide is COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2c1C=CC2.
What is the InChIKey of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is RATMQZWTYHHSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-25-11-17(19(24-25)15-8-13(21)6-7-18(15)27-2)23-20(26)16-10-22-9-12-4-3-5-14(12)16/h3,5-11H,4H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 157090196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).