N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

C14H19N3 — CID 62111524

IUPACN-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCc1cccc(-c2cc(CNC(C)C)[nH]n2)c1
InChIInChI=1S/C14H19N3/c1-10(2)15-9-13-8-14(17-16-13)12-6-4-5-11(3)7-12/h4-8,10,15H,9H2,1-3H3,(H,16,17)
InChIKeyVQORWNNZZXAGDS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.88
Rot. Bonds4

About N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (PubChem CID 62111524) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
PubChem CID62111524
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCc1cccc(-c2cc(CNC(C)C)[nH]n2)c1
InChIInChI=1S/C14H19N3/c1-10(2)15-9-13-8-14(17-16-13)12-6-4-5-11(3)7-12/h4-8,10,15H,9H2,1-3H3,(H,16,17)
InChIKeyVQORWNNZZXAGDS-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (CID 62111524) is N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is Cc1cccc(-c2cc(CNC(C)C)[nH]n2)c1.
What is the InChIKey of N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The InChIKey is VQORWNNZZXAGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)15-9-13-8-14(17-16-13)12-6-4-5-11(3)7-12/h4-8,10,15H,9H2,1-3H3,(H,16,17).
What are the key properties of N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62111524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).