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

C12H18N4O3 — CID 61186790

IUPAC2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCCCN1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H18N4O3/c1-9-4-2-3-5-16(9)12(19)14-10-6-13-15(7-10)8-11(17)18/h6-7,9H,2-5,8H2,1H3,(H,14,19)(H,17,18)
InChIKeyPEBCVDXILRDWAJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.37
Rot. Bonds3

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

2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61186790) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61186790
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCCCN1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C12H18N4O3/c1-9-4-2-3-5-16(9)12(19)14-10-6-13-15(7-10)8-11(17)18/h6-7,9H,2-5,8H2,1H3,(H,14,19)(H,17,18)
InChIKeyPEBCVDXILRDWAJ-UHFFFAOYSA-N
XLogP1.37
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62330404
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 102885009
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63208896
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
2-[4-(thiane-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 80594673
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
2-[4-[(1-acetylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018636

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 61186790) is 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1CCCCN1C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is PEBCVDXILRDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-4-2-3-5-16(9)12(19)14-10-6-13-15(7-10)8-11(17)18/h6-7,9H,2-5,8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61186790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).