1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea

C15H16ClN5O2 — CID 99835705

IUPAC1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)n[nH]1
InChIInChI=1S/C15H16ClN5O2/c1-9-7-13(20-19-9)18-15(23)17-12-8-10(4-5-11(12)16)21-6-2-3-14(21)22/h4-5,7-8H,2-3,6H2,1H3,(H3,17,18,19,20,23)
InChIKeyNDPYUPBBMRWICB-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea

1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea (PubChem CID 99835705) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
PubChem CID99835705
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)n[nH]1
InChIInChI=1S/C15H16ClN5O2/c1-9-7-13(20-19-9)18-15(23)17-12-8-10(4-5-11(12)16)21-6-2-3-14(21)22/h4-5,7-8H,2-3,6H2,1H3,(H3,17,18,19,20,23)
InChIKeyNDPYUPBBMRWICB-UHFFFAOYSA-N
XLogP3.14
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
CID 122075641
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylpropanamide
CID 47352609
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 86789969
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 47029857
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874064
N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide
CID 47043061
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55675672
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55675283
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea (CID 99835705) is 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)n[nH]1.
What is the InChIKey of 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
The InChIKey is NDPYUPBBMRWICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-9-7-13(20-19-9)18-15(23)17-12-8-10(4-5-11(12)16)21-6-2-3-14(21)22/h4-5,7-8H,2-3,6H2,1H3,(H3,17,18,19,20,23).
What are the key properties of 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea?
1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea has a molecular weight of 333.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 99835705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).