N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C11H17N3O — CID 43582035

IUPACN-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC1CCC1
InChIInChI=1S/C11H17N3O/c1-7-10(8(2)14-13-7)11(15)12-6-9-4-3-5-9/h9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyJIQJZTFVOTYZFF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.56
Rot. Bonds3

About N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582035) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582035
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC1CCC1
InChIInChI=1S/C11H17N3O/c1-7-10(8(2)14-13-7)11(15)12-6-9-4-3-5-9/h9H,3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyJIQJZTFVOTYZFF-UHFFFAOYSA-N
XLogP1.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582035) is N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JIQJZTFVOTYZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-10(8(2)14-13-7)11(15)12-6-9-4-3-5-9/h9H,3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).