N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine

C12H17N3 — CID 71277750

IUPACN-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine
SMILESCc1cn[nH]c1NCCC1=CC=CCC1
InChIInChI=1S/C12H17N3/c1-10-9-14-15-12(10)13-8-7-11-5-3-2-4-6-11/h2-3,5,9H,4,6-8H2,1H3,(H2,13,14,15)
InChIKeyYCZUMXRIWFZAPT-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds4

About N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine

N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine (PubChem CID 71277750) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine
PubChem CID71277750
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine
SMILESCc1cn[nH]c1NCCC1=CC=CCC1
InChIInChI=1S/C12H17N3/c1-10-9-14-15-12(10)13-8-7-11-5-3-2-4-6-11/h2-3,5,9H,4,6-8H2,1H3,(H2,13,14,15)
InChIKeyYCZUMXRIWFZAPT-UHFFFAOYSA-N
XLogP2.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine (CID 71277750) is N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine is Cc1cn[nH]c1NCCC1=CC=CCC1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine?
The InChIKey is YCZUMXRIWFZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-9-14-15-12(10)13-8-7-11-5-3-2-4-6-11/h2-3,5,9H,4,6-8H2,1H3,(H2,13,14,15).
What are the key properties of N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine?
N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine is sourced from PubChem (CID 71277750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).