4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C13H22N4O — CID 114107091

IUPAC4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCC1(CNC(=O)c2c(N)c(C)nn2C)CCC1
InChIInChI=1S/C13H22N4O/c1-4-13(6-5-7-13)8-15-12(18)11-10(14)9(2)16-17(11)3/h4-8,14H2,1-3H3,(H,15,18)
InChIKeyCQCWXHRQIQMZLX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.62
Rot. Bonds4

About 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 114107091) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID114107091
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCC1(CNC(=O)c2c(N)c(C)nn2C)CCC1
InChIInChI=1S/C13H22N4O/c1-4-13(6-5-7-13)8-15-12(18)11-10(14)9(2)16-17(11)3/h4-8,14H2,1-3H3,(H,15,18)
InChIKeyCQCWXHRQIQMZLX-UHFFFAOYSA-N
XLogP1.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377439
1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377440
5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135955611
4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide
CID 163932043
4-amino-N,3-diethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66116752
4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
CID 66116762
4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
CID 66116982
(4-Amino-3-ethyl-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66116983
4-amino-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66121639
4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66122821

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 114107091) is 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is CCC1(CNC(=O)c2c(N)c(C)nn2C)CCC1.
What is the InChIKey of 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is CQCWXHRQIQMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-13(6-5-7-13)8-15-12(18)11-10(14)9(2)16-17(11)3/h4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylcyclobutyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 114107091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).