N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

C18H15ClN4O — CID 34136216

IUPACN-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H15ClN4O/c19-13-8-9-17(20-11-13)21-18(24)16-10-15(12-6-7-12)22-23(16)14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H,20,21,24)
InChIKeyVLSLOUVJQYZLMD-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.05
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (PubChem CID 34136216) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
PubChem CID34136216
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H15ClN4O/c19-13-8-9-17(20-11-13)21-18(24)16-10-15(12-6-7-12)22-23(16)14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H,20,21,24)
InChIKeyVLSLOUVJQYZLMD-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
CID 46439782
N'-(3-chlorobenzoyl)-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 26768615
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 30843040
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 9363213
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (CID 34136216) is N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is VLSLOUVJQYZLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-13-8-9-17(20-11-13)21-18(24)16-10-15(12-6-7-12)22-23(16)14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H,20,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 34136216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).