1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide

C18H17ClN4O — CID 30889196

IUPAC1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccccn2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-12(2)17-15(18(24)22-16-8-3-4-9-20-16)11-21-23(17)14-7-5-6-13(19)10-14/h3-12H,1-2H3,(H,20,22,24)
InChIKeyZASOMUMRFAXMIW-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.30
Rot. Bonds4

About 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 30889196) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID30889196
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccccn2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4O/c1-12(2)17-15(18(24)22-16-8-3-4-9-20-16)11-21-23(17)14-7-5-6-13(19)10-14/h3-12H,1-2H3,(H,20,22,24)
InChIKeyZASOMUMRFAXMIW-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55898914
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31812512
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987
1-(3-chlorophenyl)-5-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78851760
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 43058699

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide (CID 30889196) is 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccccn2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ZASOMUMRFAXMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12(2)17-15(18(24)22-16-8-3-4-9-20-16)11-21-23(17)14-7-5-6-13(19)10-14/h3-12H,1-2H3,(H,20,22,24).
What are the key properties of 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30889196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).