5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine

C15H21N3 — CID 114246456

IUPAC5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine
SMILESCCCCC(C)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-4-8-11(2)14-13(15(16)18-17-14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3,(H3,16,17,18)
InChIKeyLMKAPTPFGCUGIF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.95
Rot. Bonds5

About 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine

5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine (PubChem CID 114246456) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine
PubChem CID114246456
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine
SMILESCCCCC(C)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-4-8-11(2)14-13(15(16)18-17-14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3,(H3,16,17,18)
InChIKeyLMKAPTPFGCUGIF-UHFFFAOYSA-N
XLogP3.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine (CID 114246456) is 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine is CCCCC(C)c1[nH]nc(N)c1-c1ccccc1.
What is the InChIKey of 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine?
The InChIKey is LMKAPTPFGCUGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-8-11(2)14-13(15(16)18-17-14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3,(H3,16,17,18).
What are the key properties of 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine?
5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine has a molecular weight of 243.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 114246456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).