5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide

C14H22N4O — CID 136545256

IUPAC5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(N)c1C(=O)N(C1CCC1)C1CCC1
InChIInChI=1S/C14H22N4O/c1-9-12(13(15)17(2)16-9)14(19)18(10-5-3-6-10)11-7-4-8-11/h10-11H,3-8,15H2,1-2H3
InChIKeyKTKSUUGPWQVEJM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide

5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 136545256) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID136545256
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(N)c1C(=O)N(C1CCC1)C1CCC1
InChIInChI=1S/C14H22N4O/c1-9-12(13(15)17(2)16-9)14(19)18(10-5-3-6-10)11-7-4-8-11/h10-11H,3-8,15H2,1-2H3
InChIKeyKTKSUUGPWQVEJM-UHFFFAOYSA-N
XLogP1.86
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-Difluoroethyl)-3,5-dimethyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
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1-(2,2-Difluoroethyl)-6-ethyl-3,5-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 168209932
3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 178026719
(5-Amino-1,3-dimethylpyrazol-4-yl)-[2-(difluoromethyl)piperazin-1-yl]methanone
CID 138002136
Nptmpwbycsbmfw-uhfffaoysa-
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5-amino-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 10654442
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CID 15428980
5-Amino-3-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 18629230
1-(2-methylcyclopentyl)-3-methyl-5-amino-1H-pyrazole-4-carboxamide
CID 19432749
1-cyclohexyl-3-methyl-5-amino-1H-pyrazole-4-carboxamide
CID 19432808
5-Amino-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 20662568
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CID 21266056

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide (CID 136545256) is 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(N)c1C(=O)N(C1CCC1)C1CCC1.
What is the InChIKey of 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is KTKSUUGPWQVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-12(13(15)17(2)16-9)14(19)18(10-5-3-6-10)11-7-4-8-11/h10-11H,3-8,15H2,1-2H3.
What are the key properties of 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide?
5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-di(cyclobutyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 136545256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).