N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide

C16H20N4O2 — CID 119554059

IUPACN-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-n2[nH]c(C(=O)N(C)C3CCNC3)cc2=O)cc1
InChIInChI=1S/C16H20N4O2/c1-11-3-5-12(6-4-11)20-15(21)9-14(18-20)16(22)19(2)13-7-8-17-10-13/h3-6,9,13,17-18H,7-8,10H2,1-2H3
InChIKeyBYLSIVZUUINQAO-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.91
Rot. Bonds3

About N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide

N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 119554059) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID119554059
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-n2[nH]c(C(=O)N(C)C3CCNC3)cc2=O)cc1
InChIInChI=1S/C16H20N4O2/c1-11-3-5-12(6-4-11)20-15(21)9-14(18-20)16(22)19(2)13-7-8-17-10-13/h3-6,9,13,17-18H,7-8,10H2,1-2H3
InChIKeyBYLSIVZUUINQAO-UHFFFAOYSA-N
XLogP0.91
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
CID 120554828
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
2-[[2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
CID 120581188
N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119552387
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 119546367
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119553915
2-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide;hydrochloride
CID 120597824
N,2,5-trimethyl-1-(3-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119553089

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide (CID 119554059) is N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide is Cc1ccc(-n2[nH]c(C(=O)N(C)C3CCNC3)cc2=O)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is BYLSIVZUUINQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-3-5-12(6-4-11)20-15(21)9-14(18-20)16(22)19(2)13-7-8-17-10-13/h3-6,9,13,17-18H,7-8,10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide?
N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-3-oxo-N-pyrrolidin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).