1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide

C10H16N4O — CID 22574275

IUPAC1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CCCN2CCC2)n1
InChIInChI=1S/C10H16N4O/c11-10(15)9-3-8-14(12-9)7-2-6-13-4-1-5-13/h3,8H,1-2,4-7H2,(H2,11,15)
InChIKeyVNJJWBBAPFWPFJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.08
Rot. Bonds5

About 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide

1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide (PubChem CID 22574275) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide
PubChem CID22574275
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CCCN2CCC2)n1
InChIInChI=1S/C10H16N4O/c11-10(15)9-3-8-14(12-9)7-2-6-13-4-1-5-13/h3,8H,1-2,4-7H2,(H2,11,15)
InChIKeyVNJJWBBAPFWPFJ-UHFFFAOYSA-N
XLogP0.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide (CID 22574275) is 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide is NC(=O)c1ccn(CCCN2CCC2)n1.
What is the InChIKey of 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is VNJJWBBAPFWPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10(15)9-3-8-14(12-9)7-2-6-13-4-1-5-13/h3,8H,1-2,4-7H2,(H2,11,15).
What are the key properties of 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide?
1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 22574275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).