N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine

C13H15N3O2 — CID 116827257

IUPACN-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc3c(cc2C)OCCO3)[nH]n1
InChIInChI=1S/C13H15N3O2/c1-8-5-11-12(18-4-3-17-11)6-9(8)10-7-13(14-2)16-15-10/h5-7H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyVZPQELUDZLPLPC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.20
Rot. Bonds2

About N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine

N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine (PubChem CID 116827257) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
PubChem CID116827257
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc3c(cc2C)OCCO3)[nH]n1
InChIInChI=1S/C13H15N3O2/c1-8-5-11-12(18-4-3-17-11)6-9(8)10-7-13(14-2)16-15-10/h5-7H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyVZPQELUDZLPLPC-UHFFFAOYSA-N
XLogP2.20
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
CID 116823927
N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 54595204
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285
ethane;N-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-amine
CID 176977794
N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine
CID 112545541
2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]ethanamine
CID 82484043
[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892108
N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 116823971
[5-(6-methyl-1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884195
[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
CID 82482950
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine (CID 116827257) is N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine is CNc1cc(-c2cc3c(cc2C)OCCO3)[nH]n1.
What is the InChIKey of N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine?
The InChIKey is VZPQELUDZLPLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-5-11-12(18-4-3-17-11)6-9(8)10-7-13(14-2)16-15-10/h5-7H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine?
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine has a molecular weight of 245.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 116827257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).