1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine

C10H13N3 — CID 67934717

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(CC2=CCCC=C2)n1
InChIInChI=1S/C10H13N3/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9/h2,4-7H,1,3,8H2,(H2,11,12)
InChIKeyODTJVXMQCGAANZ-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.74
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine

1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine (PubChem CID 67934717) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine
PubChem CID67934717
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(CC2=CCCC=C2)n1
InChIInChI=1S/C10H13N3/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9/h2,4-7H,1,3,8H2,(H2,11,12)
InChIKeyODTJVXMQCGAANZ-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine (CID 67934717) is 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine is Nc1ccn(CC2=CCCC=C2)n1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine?
The InChIKey is ODTJVXMQCGAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9/h2,4-7H,1,3,8H2,(H2,11,12).
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine?
1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine has a molecular weight of 175.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 67934717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).