3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine

C17H25N3 — CID 79405595

IUPAC3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine
SMILESCCCc1c(C(CC)CC)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H25N3/c1-4-10-15-16(13(5-2)6-3)19-20(17(15)18)14-11-8-7-9-12-14/h7-9,11-13H,4-6,10,18H2,1-3H3
InChIKeyWJHCTJKCKHSMQQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.31
Rot. Bonds6

About 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine

3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine (PubChem CID 79405595) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine
PubChem CID79405595
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine
SMILESCCCc1c(C(CC)CC)nn(-c2ccccc2)c1N
InChIInChI=1S/C17H25N3/c1-4-10-15-16(13(5-2)6-3)19-20(17(15)18)14-11-8-7-9-12-14/h7-9,11-13H,4-6,10,18H2,1-3H3
InChIKeyWJHCTJKCKHSMQQ-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine?
The IUPAC name of 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine (CID 79405595) is 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine.
What is the SMILES notation for 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine?
The canonical SMILES for 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine is CCCc1c(C(CC)CC)nn(-c2ccccc2)c1N.
What is the InChIKey of 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine?
The InChIKey is WJHCTJKCKHSMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-15-16(13(5-2)6-3)19-20(17(15)18)14-11-8-7-9-12-14/h7-9,11-13H,4-6,10,18H2,1-3H3.
What are the key properties of 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine?
3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine has a molecular weight of 271.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-1-phenyl-4-propylpyrazol-5-amine is sourced from PubChem (CID 79405595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).