1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide

C16H16ClN5O — CID 49488043

IUPAC1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C16H16ClN5O/c1-11(2)22-15(7-9-18-22)19-16(23)13-8-10-21(20-13)14-6-4-3-5-12(14)17/h3-11H,1-2H3,(H,19,23)
InChIKeyNLOCCQRFXTZXNQ-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.56
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 49488043) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID49488043
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccn(-c2ccccc2Cl)n1
InChIInChI=1S/C16H16ClN5O/c1-11(2)22-15(7-9-18-22)19-16(23)13-8-10-21(20-13)14-6-4-3-5-12(14)17/h3-11H,1-2H3,(H,19,23)
InChIKeyNLOCCQRFXTZXNQ-UHFFFAOYSA-N
XLogP3.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
CID 51100042
1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 60571372
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 47151732
1-(2-chlorophenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 49333169
2-chloro-N-[2-[(2-propan-2-ylpyrazol-3-yl)carbamoylamino]ethyl]benzamide
CID 72868922
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762
1-(2-fluorophenyl)-N-pyrazolo[1,5-a]pyrimidin-7-ylpyrazole-3-carboxamide
CID 56784157
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775496
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775497
5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62954369
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 49372359

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide (CID 49488043) is 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide is CC(C)n1nccc1NC(=O)c1ccn(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is NLOCCQRFXTZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-11(2)22-15(7-9-18-22)19-16(23)13-8-10-21(20-13)14-6-4-3-5-12(14)17/h3-11H,1-2H3,(H,19,23).
What are the key properties of 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 49488043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).