4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine

C10H13N3 — CID 90169153

IUPAC4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine
SMILESCn1ncc(C2=CC=CCC2)c1N
InChIInChI=1S/C10H13N3/c1-13-10(11)9(7-12-13)8-5-3-2-4-6-8/h2-3,5,7H,4,6,11H2,1H3
InChIKeyPOZHQCQGOJSZCO-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.74
Rot. Bonds1

About 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine

4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine (PubChem CID 90169153) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine
PubChem CID90169153
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine
SMILESCn1ncc(C2=CC=CCC2)c1N
InChIInChI=1S/C10H13N3/c1-13-10(11)9(7-12-13)8-5-3-2-4-6-8/h2-3,5,7H,4,6,11H2,1H3
InChIKeyPOZHQCQGOJSZCO-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82024378
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine (CID 90169153) is 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine is Cn1ncc(C2=CC=CCC2)c1N.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine?
The InChIKey is POZHQCQGOJSZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13-10(11)9(7-12-13)8-5-3-2-4-6-8/h2-3,5,7H,4,6,11H2,1H3.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine?
4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine has a molecular weight of 175.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-1-methylpyrazol-5-amine is sourced from PubChem (CID 90169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).