[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine

C11H15N3 — CID 82072067

IUPAC[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)=NN2)cc1
InChIInChI=1S/C11H15N3/c1-8-2-4-9(5-3-8)11-6-10(7-12)13-14-11/h2-5,11,14H,6-7,12H2,1H3
InChIKeyIZTNYVYWQQSKBN-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.34
Rot. Bonds2

About [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine

[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine (PubChem CID 82072067) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
PubChem CID82072067
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)=NN2)cc1
InChIInChI=1S/C11H15N3/c1-8-2-4-9(5-3-8)11-6-10(7-12)13-14-11/h2-5,11,14H,6-7,12H2,1H3
InChIKeyIZTNYVYWQQSKBN-UHFFFAOYSA-N
XLogP1.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The IUPAC name of [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine (CID 82072067) is [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine is Cc1ccc(C2CC(CN)=NN2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
The InChIKey is IZTNYVYWQQSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-2-4-9(5-3-8)11-6-10(7-12)13-14-11/h2-5,11,14H,6-7,12H2,1H3.
What are the key properties of [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine?
[5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine has a molecular weight of 189.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).