1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine

C15H17N5 — CID 63311458

IUPAC1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C15H17N5/c16-15-7-10-19(18-15)8-4-9-20-12-14(11-17-20)13-5-2-1-3-6-13/h1-3,5-7,10-12H,4,8-9H2,(H2,16,18)
InChIKeyRQQJEPYXYZIXIN-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.42
Rot. Bonds5

About 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine

1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine (PubChem CID 63311458) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine
PubChem CID63311458
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine
SMILESNc1ccn(CCCn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C15H17N5/c16-15-7-10-19(18-15)8-4-9-20-12-14(11-17-20)13-5-2-1-3-6-13/h1-3,5-7,10-12H,4,8-9H2,(H2,16,18)
InChIKeyRQQJEPYXYZIXIN-UHFFFAOYSA-N
XLogP2.42
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine (CID 63311458) is 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine is Nc1ccn(CCCn2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine?
The InChIKey is RQQJEPYXYZIXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-15-7-10-19(18-15)8-4-9-20-12-14(11-17-20)13-5-2-1-3-6-13/h1-3,5-7,10-12H,4,8-9H2,(H2,16,18).
What are the key properties of 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine?
1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine has a molecular weight of 267.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine is sourced from PubChem (CID 63311458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).