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

C11H18N6O — CID 165474818

IUPACN-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide
SMILESO=C(Nc1ccnn1C1CNC1)C1CNCCN1
InChIInChI=1S/C11H18N6O/c18-11(9-7-12-3-4-14-9)16-10-1-2-15-17(10)8-5-13-6-8/h1-2,8-9,12-14H,3-7H2,(H,16,18)
InChIKeyQZJBVASUKCGQHI-UHFFFAOYSA-N
MW250.31 g/mol
LogP-1.47
Rot. Bonds3

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

N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide (PubChem CID 165474818) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide
PubChem CID165474818
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC NameN-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide
SMILESO=C(Nc1ccnn1C1CNC1)C1CNCCN1
InChIInChI=1S/C11H18N6O/c18-11(9-7-12-3-4-14-9)16-10-1-2-15-17(10)8-5-13-6-8/h1-2,8-9,12-14H,3-7H2,(H,16,18)
InChIKeyQZJBVASUKCGQHI-UHFFFAOYSA-N
XLogP-1.47
TPSA83.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide?
The IUPAC name of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide (CID 165474818) is N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide?
The canonical SMILES for N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide is O=C(Nc1ccnn1C1CNC1)C1CNCCN1.
What is the InChIKey of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide?
The InChIKey is QZJBVASUKCGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c18-11(9-7-12-3-4-14-9)16-10-1-2-15-17(10)8-5-13-6-8/h1-2,8-9,12-14H,3-7H2,(H,16,18).
What are the key properties of N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide?
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide has a molecular weight of 250.31 g/mol, XLogP of -1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 165474818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).