(5-phenyl-1H-pyrazol-4-yl)methanamine

C10H11N3 — CID 670408

IUPAC(5-phenyl-1H-pyrazol-4-yl)methanamine
SMILESNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C10H11N3/c11-6-9-7-12-13-10(9)8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,13)
InChIKeyYTYBRZWDGVSNPC-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.54
Rot. Bonds2

About (5-phenyl-1H-pyrazol-4-yl)methanamine

(5-phenyl-1H-pyrazol-4-yl)methanamine (PubChem CID 670408) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (5-phenyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-phenyl-1H-pyrazol-4-yl)methanamine
PubChem CID670408
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(5-phenyl-1H-pyrazol-4-yl)methanamine
SMILESNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C10H11N3/c11-6-9-7-12-13-10(9)8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,13)
InChIKeyYTYBRZWDGVSNPC-UHFFFAOYSA-N
XLogP1.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of (5-phenyl-1H-pyrazol-4-yl)methanamine (CID 670408) is (5-phenyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (5-phenyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (5-phenyl-1H-pyrazol-4-yl)methanamine is NCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of (5-phenyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is YTYBRZWDGVSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-6-9-7-12-13-10(9)8-4-2-1-3-5-8/h1-5,7H,6,11H2,(H,12,13).
What are the key properties of (5-phenyl-1H-pyrazol-4-yl)methanamine?
(5-phenyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 173.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 670408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).