2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid

C9H10ClN3O3 — CID 115729691

IUPAC2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C9H10ClN3O3/c10-6-7(4-1-2-4)12-13-8(6)9(16)11-3-5(14)15/h4H,1-3H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyBWOKCWQWMUIBFD-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.75
Rot. Bonds4

About 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid

2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid (PubChem CID 115729691) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid
PubChem CID115729691
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C9H10ClN3O3/c10-6-7(4-1-2-4)12-13-8(6)9(16)11-3-5(14)15/h4H,1-3H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyBWOKCWQWMUIBFD-UHFFFAOYSA-N
XLogP0.75
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 97233630
4-chloro-5-cyclopropyl-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 75378792
4-amino-5-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 62078792
5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372957
4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
CID 118903584
3-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 119220931
4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 71855633
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
5-cyclopropyl-3-(2-methoxypropylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 102701092
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
N-[4-(azetidin-3-ylsulfanyl)phenyl]-4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-[4-(azetidin-3-ylsulfanyl)phenyl]-2-cyclopropylpyrimidine-5-carboxamide
CID 118903734

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid (CID 115729691) is 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1n[nH]c(C2CC2)c1Cl.
What is the InChIKey of 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is BWOKCWQWMUIBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-6-7(4-1-2-4)12-13-8(6)9(16)11-3-5(14)15/h4H,1-3H2,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid?
2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 243.65 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 115729691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).