N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide

C11H17N3O — CID 95756432

IUPACN-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC1CCC1
InChIInChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)
InChIKeyLNNVYJLFRUGBHR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.26
Rot. Bonds3

About N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide

N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 95756432) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID95756432
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC1CCC1
InChIInChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)
InChIKeyLNNVYJLFRUGBHR-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1H-Pyrazole-4-carboxamide, 5-cyano-1-(1,1-dimethylethyl)-N-methyl-
CID 175787
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide (CID 95756432) is N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is LNNVYJLFRUGBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 95756432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).