1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid

C15H21N3O3 — CID 154741120

IUPAC1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccnn2CC2CCC2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(17-8-5-12(6-9-17)15(20)21)13-4-7-16-18(13)10-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,20,21)
InChIKeyCCYMGKLSTGCMQM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid

1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid (PubChem CID 154741120) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid
PubChem CID154741120
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccnn2CC2CCC2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(17-8-5-12(6-9-17)15(20)21)13-4-7-16-18(13)10-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,20,21)
InChIKeyCCYMGKLSTGCMQM-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
2-[5-(4-methylpiperidine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19482326
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid
CID 84780605
3-[[2-(cyclobutylmethyl)pyrazole-3-carbonyl]amino]-4-fluorobenzoic acid
CID 136556284
[2-(cyclobutylmethyl)pyrazol-3-yl]-[3-(3-fluorophenyl)morpholin-4-yl]methanone
CID 136557448
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
5-[1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
(2-ethylpyrazol-3-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid (CID 154741120) is 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccnn2CC2CCC2)CC1.
What is the InChIKey of 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is CCYMGKLSTGCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(17-8-5-12(6-9-17)15(20)21)13-4-7-16-18(13)10-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,20,21).
What are the key properties of 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid?
1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethyl)pyrazole-3-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 154741120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).