1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine

C10H12N4 — CID 135232660

IUPAC1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine
SMILESCC1=NC=C(n2ccc(N)n2)C=CC1
InChIInChI=1S/C10H12N4/c1-8-3-2-4-9(7-12-8)14-6-5-10(11)13-14/h2,4-7H,3H2,1H3,(H2,11,13)
InChIKeyNQSYRZWVHDMNBD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.68
Rot. Bonds1

About 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine

1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine (PubChem CID 135232660) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine
PubChem CID135232660
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine
SMILESCC1=NC=C(n2ccc(N)n2)C=CC1
InChIInChI=1S/C10H12N4/c1-8-3-2-4-9(7-12-8)14-6-5-10(11)13-14/h2,4-7H,3H2,1H3,(H2,11,13)
InChIKeyNQSYRZWVHDMNBD-UHFFFAOYSA-N
XLogP1.68
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine?
The IUPAC name of 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine (CID 135232660) is 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine is CC1=NC=C(n2ccc(N)n2)C=CC1.
What is the InChIKey of 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine?
The InChIKey is NQSYRZWVHDMNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-3-2-4-9(7-12-8)14-6-5-10(11)13-14/h2,4-7H,3H2,1H3,(H2,11,13).
What are the key properties of 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine?
1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine has a molecular weight of 188.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-azepin-6-yl)pyrazol-3-amine is sourced from PubChem (CID 135232660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).