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

C12H18N4O3 — CID 115867060

IUPAC2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCNC(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C12H18N4O3/c1-8-2-3-13-10(4-8)12(19)15-9-5-14-16(6-9)7-11(17)18/h5-6,8,10,13H,2-4,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyYIJYRKUKEQQDGW-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.29
Rot. Bonds4

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

2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 115867060) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID115867060
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1CCNC(C(=O)Nc2cnn(CC(=O)O)c2)C1
InChIInChI=1S/C12H18N4O3/c1-8-2-3-13-10(4-8)12(19)15-9-5-14-16(6-9)7-11(17)18/h5-6,8,10,13H,2-4,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyYIJYRKUKEQQDGW-UHFFFAOYSA-N
XLogP0.29
TPSA96.25 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 ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 115867060) is 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1CCNC(C(=O)Nc2cnn(CC(=O)O)c2)C1.
What is the InChIKey of 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is YIJYRKUKEQQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-2-3-13-10(4-8)12(19)15-9-5-14-16(6-9)7-11(17)18/h5-6,8,10,13H,2-4,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 115867060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).