2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

C13H17N3 — CID 115607535

IUPAC2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-13(2,11-6-4-3-5-7-11)14-10-12-8-9-15-16-12/h3-9,14H,10H2,1-2H3,(H,15,16)
InChIKeyUZIGBXKXEKBVPO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.43
Rot. Bonds4

About 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine

2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (PubChem CID 115607535) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
PubChem CID115607535
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-13(2,11-6-4-3-5-7-11)14-10-12-8-9-15-16-12/h3-9,14H,10H2,1-2H3,(H,15,16)
InChIKeyUZIGBXKXEKBVPO-UHFFFAOYSA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine (CID 115607535) is 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is CC(C)(NCc1ccn[nH]1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
The InChIKey is UZIGBXKXEKBVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,11-6-4-3-5-7-11)14-10-12-8-9-15-16-12/h3-9,14H,10H2,1-2H3,(H,15,16).
What are the key properties of 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine?
2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 115607535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).