N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

C15H18ClN3O2 — CID 138034370

IUPACN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)NC(C)(C)Cc2ccccc2Cl)cc1=O
InChIInChI=1S/C15H18ClN3O2/c1-15(2,9-10-6-4-5-7-11(10)16)17-14(21)12-8-13(20)19(3)18-12/h4-8,18H,9H2,1-3H3,(H,17,21)
InChIKeyRXOQCTAODIIDSJ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.12
Rot. Bonds4

About N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 138034370) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID138034370
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(=O)NC(C)(C)Cc2ccccc2Cl)cc1=O
InChIInChI=1S/C15H18ClN3O2/c1-15(2,9-10-6-4-5-7-11(10)16)17-14(21)12-8-13(20)19(3)18-12/h4-8,18H,9H2,1-3H3,(H,17,21)
InChIKeyRXOQCTAODIIDSJ-UHFFFAOYSA-N
XLogP2.12
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774350
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158
1-[2-[[1-(2-chlorophenyl)-2-methylpropan-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 146133089
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
2-[(2-methyl-3-oxo-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 166392919
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119774339
N'-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-N-(3-chloro-4-propoxyphenyl)oxamide
CID 154747713
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
3-[(2,6-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 64670872
N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine
CID 115920215
1-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559551

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (CID 138034370) is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is Cn1[nH]c(C(=O)NC(C)(C)Cc2ccccc2Cl)cc1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is RXOQCTAODIIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2,9-10-6-4-5-7-11(10)16)17-14(21)12-8-13(20)19(3)18-12/h4-8,18H,9H2,1-3H3,(H,17,21).
What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138034370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).