N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide

C9H13N3O — CID 43582032

IUPACN-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC1)c1cn[nH]c1
InChIInChI=1S/C9H13N3O/c13-9(8-5-11-12-6-8)10-4-7-2-1-3-7/h5-7H,1-4H2,(H,10,13)(H,11,12)
InChIKeyMZHBLFRZWMVFFL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.94
Rot. Bonds3

About N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide

N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582032) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID43582032
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCC1)c1cn[nH]c1
InChIInChI=1S/C9H13N3O/c13-9(8-5-11-12-6-8)10-4-7-2-1-3-7/h5-7H,1-4H2,(H,10,13)(H,11,12)
InChIKeyMZHBLFRZWMVFFL-UHFFFAOYSA-N
XLogP0.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide (CID 43582032) is N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCC1CCC1)c1cn[nH]c1.
What is the InChIKey of N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MZHBLFRZWMVFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(8-5-11-12-6-8)10-4-7-2-1-3-7/h5-7H,1-4H2,(H,10,13)(H,11,12).
What are the key properties of N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide?
N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).