4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C14H17N3O — CID 47404997

IUPAC4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-9(2)12-8-13(17-16-12)15-14(18)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyASRRKURMMJSTNK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds3

About 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 47404997) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID47404997
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1
InChIInChI=1S/C14H17N3O/c1-9(2)12-8-13(17-16-12)15-14(18)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,15,16,17,18)
InChIKeyASRRKURMMJSTNK-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
3-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619798
6-(cyclopropylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 71881616
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-6-carboxamide
CID 104618381

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 47404997) is 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1.
What is the InChIKey of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is ASRRKURMMJSTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)12-8-13(17-16-12)15-14(18)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 47404997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).