N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide

C12H20N4O — CID 107174958

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCC2C)c1N
InChIInChI=1S/C12H20N4O/c1-7-5-4-6-9(7)12(17)14-11-10(13)8(2)15-16(11)3/h7,9H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyBWJMLULIJPTMJO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.69
Rot. Bonds2

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107174958) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide
PubChem CID107174958
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCC2C)c1N
InChIInChI=1S/C12H20N4O/c1-7-5-4-6-9(7)12(17)14-11-10(13)8(2)15-16(11)3/h7,9H,4-6,13H2,1-3H3,(H,14,17)
InChIKeyBWJMLULIJPTMJO-UHFFFAOYSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[[1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]methyl]acetamide
CID 53545670
N-[5-(azetidin-1-yl)-1,3-dimethylpyrazol-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 132319190
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81930503
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930817
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930818
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621929
N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide
CID 1214840
2-cyclopropyl-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 71860336
N-(1,3-dimethyl-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 25813231
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291300
N-(2,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35291306

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide (CID 107174958) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide is Cc1nn(C)c(NC(=O)C2CCCC2C)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is BWJMLULIJPTMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7-5-4-6-9(7)12(17)14-11-10(13)8(2)15-16(11)3/h7,9H,4-6,13H2,1-3H3,(H,14,17).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).