2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C17H18ClN5O4 — CID 120696743

IUPAC2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cn1
InChIInChI=1S/C17H18ClN5O4/c1-17(2,15(25)26)23-9-11(8-20-23)21-14(24)10-3-4-12(18)13(7-10)22-6-5-19-16(22)27/h3-4,7-9H,5-6H2,1-2H3,(H,19,27)(H,21,24)(H,25,26)
InChIKeyDFTVTOWHAQVMHV-UHFFFAOYSA-N
MW391.82 g/mol
LogP2.14
Rot. Bonds5

About 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696743) has the molecular formula C17H18ClN5O4 and a molecular weight of 391.82 g/mol. Its IUPAC name is 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696743
Molecular FormulaC17H18ClN5O4
Molecular Weight391.82 g/mol
Exact Mass391.10
IUPAC Name2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cn1
InChIInChI=1S/C17H18ClN5O4/c1-17(2,15(25)26)23-9-11(8-20-23)21-14(24)10-3-4-12(18)13(7-10)22-6-5-19-16(22)27/h3-4,7-9H,5-6H2,1-2H3,(H,19,27)(H,21,24)(H,25,26)
InChIKeyDFTVTOWHAQVMHV-UHFFFAOYSA-N
XLogP2.14
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119204560
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
2-methyl-2-[4-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696194
4-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 136528613
2-[4-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697471
2-methyl-2-[4-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120697124
N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71906365
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119224117
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696743) is 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cn1.
What is the InChIKey of 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is DFTVTOWHAQVMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O4/c1-17(2,15(25)26)23-9-11(8-20-23)21-14(24)10-3-4-12(18)13(7-10)22-6-5-19-16(22)27/h3-4,7-9H,5-6H2,1-2H3,(H,19,27)(H,21,24)(H,25,26).
What are the key properties of 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 391.82 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).