N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide

C12H19N5O — CID 165484845

IUPACN-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1C1CNC1)C1CCNCC1
InChIInChI=1S/C12H19N5O/c18-12(9-1-4-13-5-2-9)16-11-3-6-15-17(11)10-7-14-8-10/h3,6,9-10,13-14H,1-2,4-5,7-8H2,(H,16,18)
InChIKeyLVMQUSQEMVOSLO-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.03
Rot. Bonds3

About N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide

N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 165484845) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
PubChem CID165484845
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1C1CNC1)C1CCNCC1
InChIInChI=1S/C12H19N5O/c18-12(9-1-4-13-5-2-9)16-11-3-6-15-17(11)10-7-14-8-10/h3,6,9-10,13-14H,1-2,4-5,7-8H2,(H,16,18)
InChIKeyLVMQUSQEMVOSLO-UHFFFAOYSA-N
XLogP-0.03
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[2-(azetidin-3-yl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 165482654
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide
CID 165474818
N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119268271
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 165483514
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
CID 165484838
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56739146
1-N,4-N-bis(pyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-dicarboxamide
CID 56573678

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide (CID 165484845) is N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide is O=C(Nc1ccnn1C1CNC1)C1CCNCC1.
What is the InChIKey of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is LVMQUSQEMVOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c18-12(9-1-4-13-5-2-9)16-11-3-6-15-17(11)10-7-14-8-10/h3,6,9-10,13-14H,1-2,4-5,7-8H2,(H,16,18).
What are the key properties of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide?
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 165484845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).