4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine

C16H19N3O2 — CID 107001711

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCC1(C)CC1c1[nH]nc(N)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19N3O2/c1-16(2)8-10(16)14-13(15(17)19-18-14)9-3-4-11-12(7-9)21-6-5-20-11/h3-4,7,10H,5-6,8H2,1-2H3,(H3,17,18,19)
InChIKeyAOONRERFQFCDBI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.94
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (PubChem CID 107001711) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
PubChem CID107001711
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCC1(C)CC1c1[nH]nc(N)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19N3O2/c1-16(2)8-10(16)14-13(15(17)19-18-14)9-3-4-11-12(7-9)21-6-5-20-11/h3-4,7,10H,5-6,8H2,1-2H3,(H3,17,18,19)
InChIKeyAOONRERFQFCDBI-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-(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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502031
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66201299
4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001706
5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 66204000
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62824445
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515269
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
CID 43336723
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (CID 107001711) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is CC1(C)CC1c1[nH]nc(N)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The InChIKey is AOONRERFQFCDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2)8-10(16)14-13(15(17)19-18-14)9-3-4-11-12(7-9)21-6-5-20-11/h3-4,7,10H,5-6,8H2,1-2H3,(H3,17,18,19).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine has a molecular weight of 285.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107001711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).