N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H21N3O — CID 113252802

IUPACN-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCC1(CNC(=O)c2c(C)n[nH]c2C)CCC1
InChIInChI=1S/C13H21N3O/c1-4-13(6-5-7-13)8-14-12(17)11-9(2)15-16-10(11)3/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOHGPQXMDRWVQED-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 113252802) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID113252802
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCC1(CNC(=O)c2c(C)n[nH]c2C)CCC1
InChIInChI=1S/C13H21N3O/c1-4-13(6-5-7-13)8-14-12(17)11-9(2)15-16-10(11)3/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOHGPQXMDRWVQED-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113257957
2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163599
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362374
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113283180
N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103737261
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 114107091
1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 114109609
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107854505
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 113252802) is N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCC1(CNC(=O)c2c(C)n[nH]c2C)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is OHGPQXMDRWVQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(6-5-7-13)8-14-12(17)11-9(2)15-16-10(11)3/h4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113252802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).