3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

C12H15N3 — CID 16658021

IUPAC3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C12H15N3/c13-7-1-2-10-3-5-11(6-4-10)12-8-14-15-9-12/h3-6,8-9H,1-2,7,13H2,(H,14,15)
InChIKeyWBJDPGJHTKQADN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.97
Rot. Bonds4

About 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 16658021) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID16658021
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C12H15N3/c13-7-1-2-10-3-5-11(6-4-10)12-8-14-15-9-12/h3-6,8-9H,1-2,7,13H2,(H,14,15)
InChIKeyWBJDPGJHTKQADN-UHFFFAOYSA-N
XLogP1.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 16658021) is 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is NCCCc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is WBJDPGJHTKQADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-7-1-2-10-3-5-11(6-4-10)12-8-14-15-9-12/h3-6,8-9H,1-2,7,13H2,(H,14,15).
What are the key properties of 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 16658021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).