5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine

C10H13N3 — CID 123747149

IUPAC5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(C2=CC=CCC2)[nH]n1
InChIInChI=1S/C10H13N3/c1-11-10-7-9(12-13-10)8-5-3-2-4-6-8/h2-3,5,7H,4,6H2,1H3,(H2,11,12,13)
InChIKeyLXKCKLQXPKWJPK-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.18
Rot. Bonds2

About 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine

5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine (PubChem CID 123747149) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine
PubChem CID123747149
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(C2=CC=CCC2)[nH]n1
InChIInChI=1S/C10H13N3/c1-11-10-7-9(12-13-10)8-5-3-2-4-6-8/h2-3,5,7H,4,6H2,1H3,(H2,11,12,13)
InChIKeyLXKCKLQXPKWJPK-UHFFFAOYSA-N
XLogP2.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine (CID 123747149) is 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine is CNc1cc(C2=CC=CCC2)[nH]n1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine?
The InChIKey is LXKCKLQXPKWJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-11-10-7-9(12-13-10)8-5-3-2-4-6-8/h2-3,5,7H,4,6H2,1H3,(H2,11,12,13).
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine?
5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine has a molecular weight of 175.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 123747149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).