2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid

C12H18N4O3 — CID 61285380

IUPAC2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
SMILESNC1CCC(C(=O)Nc2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C12H18N4O3/c13-9-3-1-8(2-4-9)12(19)15-10-5-14-16(6-10)7-11(17)18/h5-6,8-9H,1-4,7,13H2,(H,15,19)(H,17,18)
InChIKeyMQRODIJNGDKHKP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.42
Rot. Bonds4

About 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61285380) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61285380
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
SMILESNC1CCC(C(=O)Nc2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C12H18N4O3/c13-9-3-1-8(2-4-9)12(19)15-10-5-14-16(6-10)7-11(17)18/h5-6,8-9H,1-4,7,13H2,(H,15,19)(H,17,18)
InChIKeyMQRODIJNGDKHKP-UHFFFAOYSA-N
XLogP0.42
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 83192588
2-[4-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61019036
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
2-[4-(thiane-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 80594673
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid (CID 61285380) is 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid is NC1CCC(C(=O)Nc2cnn(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is MQRODIJNGDKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-9-3-1-8(2-4-9)12(19)15-10-5-14-16(6-10)7-11(17)18/h5-6,8-9H,1-4,7,13H2,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61285380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).