3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine

C15H19N3 — CID 117355787

IUPAC3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C15H19N3/c16-10-1-2-12-3-7-14(8-4-12)18-15(9-11-17-18)13-5-6-13/h3-4,7-9,11,13H,1-2,5-6,10,16H2
InChIKeyBVQFCBWKKXCBDL-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.64
Rot. Bonds5

About 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine

3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine (PubChem CID 117355787) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine
PubChem CID117355787
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine
SMILESNCCCc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C15H19N3/c16-10-1-2-12-3-7-14(8-4-12)18-15(9-11-17-18)13-5-6-13/h3-4,7-9,11,13H,1-2,5-6,10,16H2
InChIKeyBVQFCBWKKXCBDL-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine (CID 117355787) is 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine is NCCCc1ccc(-n2nccc2C2CC2)cc1.
What is the InChIKey of 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine?
The InChIKey is BVQFCBWKKXCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-1-2-12-3-7-14(8-4-12)18-15(9-11-17-18)13-5-6-13/h3-4,7-9,11,13H,1-2,5-6,10,16H2.
What are the key properties of 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine?
3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 117355787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).