2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid

C16H17N3O3 — CID 119194650

IUPAC2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Cn2cccn2)cc1)C1CC1
InChIInChI=1S/C16H17N3O3/c20-15(21)11-19(14-6-7-14)16(22)13-4-2-12(3-5-13)10-18-9-1-8-17-18/h1-5,8-9,14H,6-7,10-11H2,(H,20,21)
InChIKeyDNILTQLJKUQUNG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.62
Rot. Bonds6

About 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid

2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid (PubChem CID 119194650) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
PubChem CID119194650
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Cn2cccn2)cc1)C1CC1
InChIInChI=1S/C16H17N3O3/c20-15(21)11-19(14-6-7-14)16(22)13-4-2-12(3-5-13)10-18-9-1-8-17-18/h1-5,8-9,14H,6-7,10-11H2,(H,20,21)
InChIKeyDNILTQLJKUQUNG-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68766913
N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 155996402
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
(3S,4S)-3,4-dimethyl-1-[4-(pyrazol-1-ylmethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 154843214
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
2-[methyl-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43356187
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55594865
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
4-hydroxy-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 119250921
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid (CID 119194650) is 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid is O=C(O)CN(C(=O)c1ccc(Cn2cccn2)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid?
The InChIKey is DNILTQLJKUQUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(21)11-19(14-6-7-14)16(22)13-4-2-12(3-5-13)10-18-9-1-8-17-18/h1-5,8-9,14H,6-7,10-11H2,(H,20,21).
What are the key properties of 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid?
2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119194650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).