5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H20N4O2 — CID 66028114

IUPAC5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(Nc2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C15H20N4O2/c1-9(2)19-15(14(16)10(3)18-19)17-11-4-5-12-13(8-11)21-7-6-20-12/h4-5,8-9,17H,6-7,16H2,1-3H3
InChIKeyPLQHKSLCNYDRSO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.87
Rot. Bonds3

About 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66028114) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66028114
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(Nc2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C15H20N4O2/c1-9(2)19-15(14(16)10(3)18-19)17-11-4-5-12-13(8-11)21-7-6-20-12/h4-5,8-9,17H,6-7,16H2,1-3H3
InChIKeyPLQHKSLCNYDRSO-UHFFFAOYSA-N
XLogP2.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine with MolForge

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Related Compounds

3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile
CID 66029081
5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029657
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4,5-diamine
CID 79915694
5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
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4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135035
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5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
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2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 103387198
5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine
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4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80762848
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 55902007

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66028114) is 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(Nc2ccc3c(c2)OCCO3)c1N.
What is the InChIKey of 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PLQHKSLCNYDRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)19-15(14(16)10(3)18-19)17-11-4-5-12-13(8-11)21-7-6-20-12/h4-5,8-9,17H,6-7,16H2,1-3H3.
What are the key properties of 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66028114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).