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

C15H17N3O2 — CID 107001708

IUPAC4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCC1(C)CC1c1[nH]nc(N)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O2/c1-15(2)6-9(15)13-12(14(16)18-17-13)8-3-4-10-11(5-8)20-7-19-10/h3-5,9H,6-7H2,1-2H3,(H3,16,17,18)
InChIKeyOSIBXZUFDYHDLC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.90
Rot. Bonds2

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

4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (PubChem CID 107001708) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
PubChem CID107001708
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCC1(C)CC1c1[nH]nc(N)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O2/c1-15(2)6-9(15)13-12(14(16)18-17-13)8-3-4-10-11(5-8)20-7-19-10/h3-5,9H,6-7H2,1-2H3,(H3,16,17,18)
InChIKeyOSIBXZUFDYHDLC-UHFFFAOYSA-N
XLogP2.90
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001711
4-(1,3-benzodioxol-5-yl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
CID 107179147
4-[4-(difluoromethoxy)phenyl]-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001697
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
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
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
CID 83910432
5-(1,3-benzodioxol-5-yl)-3-methyl-1,2-oxazol-4-amine
CID 82472014
diethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10761728

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (CID 107001708) is 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is CC1(C)CC1c1[nH]nc(N)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The InChIKey is OSIBXZUFDYHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2)6-9(15)13-12(14(16)18-17-13)8-3-4-10-11(5-8)20-7-19-10/h3-5,9H,6-7H2,1-2H3,(H3,16,17,18).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine has a molecular weight of 271.32 g/mol, XLogP of 2.90, 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-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107001708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).