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

C9H11N3O3 — CID 60825684

IUPAC2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cn[nH]c1)C1CC1
InChIInChI=1S/C9H11N3O3/c13-8(14)5-12(7-1-2-7)9(15)6-3-10-11-4-6/h3-4,7H,1-2,5H2,(H,10,11)(H,13,14)
InChIKeyXLUVUABPLZDCKC-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.10
Rot. Bonds4

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

2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid (PubChem CID 60825684) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
PubChem CID60825684
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cn[nH]c1)C1CC1
InChIInChI=1S/C9H11N3O3/c13-8(14)5-12(7-1-2-7)9(15)6-3-10-11-4-6/h3-4,7H,1-2,5H2,(H,10,11)(H,13,14)
InChIKeyXLUVUABPLZDCKC-UHFFFAOYSA-N
XLogP0.10
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60845563
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 106599332
N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
CID 79111863
N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 60959160
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
2-[cyclopropyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63852185
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
CID 60825353

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid (CID 60825684) is 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1cn[nH]c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is XLUVUABPLZDCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-8(14)5-12(7-1-2-7)9(15)6-3-10-11-4-6/h3-4,7H,1-2,5H2,(H,10,11)(H,13,14).
What are the key properties of 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid?
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 60825684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).