4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine

C16H19N3O2 — CID 107179147

IUPAC4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
SMILESCC1CCCC1c1[nH]nc(N)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O2/c1-9-3-2-4-11(9)15-14(16(17)19-18-15)10-5-6-12-13(7-10)21-8-20-12/h5-7,9,11H,2-4,8H2,1H3,(H3,17,18,19)
InChIKeyJJKZISBXEGPHQV-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.29
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine

4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine (PubChem CID 107179147) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
PubChem CID107179147
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
SMILESCC1CCCC1c1[nH]nc(N)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O2/c1-9-3-2-4-11(9)15-14(16(17)19-18-15)10-5-6-12-13(7-10)21-8-20-12/h5-7,9,11H,2-4,8H2,1H3,(H3,17,18,19)
InChIKeyJJKZISBXEGPHQV-UHFFFAOYSA-N
XLogP3.29
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001708
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001711
5-[(1R,2R)-2-methylcyclohexyl]-1,3-benzodioxole
CID 50930797
4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62824445
4-(1,3-benzodioxol-5-yl)-5-(5-bromothiophen-3-yl)-1H-pyrazol-3-amine
CID 107962597
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
3-(1,3-benzodioxol-5-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366332
5-cycloheptyl-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829434
4-(3,4-dimethylphenyl)-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62900164
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033
4-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541943

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine (CID 107179147) is 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine is CC1CCCC1c1[nH]nc(N)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
The InChIKey is JJKZISBXEGPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-3-2-4-11(9)15-14(16(17)19-18-15)10-5-6-12-13(7-10)21-8-20-12/h5-7,9,11H,2-4,8H2,1H3,(H3,17,18,19).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine?
4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine has a molecular weight of 285.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107179147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).