2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

C14H14ClN3O3 — CID 19502955

IUPAC2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-9(14(20)21)18-8-11(7-17-18)13(19)16-6-10-4-2-3-5-12(10)15/h2-5,7-9H,6H2,1H3,(H,16,19)(H,20,21)
InChIKeyNYBHZJYDRFLQSS-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19502955) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19502955
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-9(14(20)21)18-8-11(7-17-18)13(19)16-6-10-4-2-3-5-12(10)15/h2-5,7-9H,6H2,1H3,(H,16,19)(H,20,21)
InChIKeyNYBHZJYDRFLQSS-UHFFFAOYSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504633
2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502901
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
2-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253710
2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502903
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
2-[4-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504677
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
N-[(2-chlorophenyl)methyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223386
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19502955) is 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)NCc2ccccc2Cl)cn1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is NYBHZJYDRFLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9(14(20)21)18-8-11(7-17-18)13(19)16-6-10-4-2-3-5-12(10)15/h2-5,7-9H,6H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 307.74 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19502955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).