N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine

C9H15N3 — CID 43644728

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3/c1-4-5-10-6-9-7(2)11-12-8(9)3/h4,10H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyUWPFREUPRHOURQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.30
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine (PubChem CID 43644728) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
PubChem CID43644728
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1c(C)n[nH]c1C
InChIInChI=1S/C9H15N3/c1-4-5-10-6-9-7(2)11-12-8(9)3/h4,10H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyUWPFREUPRHOURQ-UHFFFAOYSA-N
XLogP1.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine (CID 43644728) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine is C=CCNCc1c(C)n[nH]c1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine?
The InChIKey is UWPFREUPRHOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-5-10-6-9-7(2)11-12-8(9)3/h4,10H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 43644728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).