1-benzyl-N-cyclohexylpyrazol-4-amine

C16H21N3 — CID 54866244

IUPAC1-benzyl-N-cyclohexylpyrazol-4-amine
SMILESc1ccc(Cn2cc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-3-7-14(8-4-1)12-19-13-16(11-17-19)18-15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15,18H,2,5-6,9-10,12H2
InChIKeyVXUXJUUKOMQNAO-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.68
Rot. Bonds4

About 1-benzyl-N-cyclohexylpyrazol-4-amine

1-benzyl-N-cyclohexylpyrazol-4-amine (PubChem CID 54866244) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexylpyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-cyclohexylpyrazol-4-amine
PubChem CID54866244
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-benzyl-N-cyclohexylpyrazol-4-amine
SMILESc1ccc(Cn2cc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C16H21N3/c1-3-7-14(8-4-1)12-19-13-16(11-17-19)18-15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15,18H,2,5-6,9-10,12H2
InChIKeyVXUXJUUKOMQNAO-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexylpyrazol-4-amine?
The IUPAC name of 1-benzyl-N-cyclohexylpyrazol-4-amine (CID 54866244) is 1-benzyl-N-cyclohexylpyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-cyclohexylpyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-cyclohexylpyrazol-4-amine is c1ccc(Cn2cc(NC3CCCCC3)cn2)cc1.
What is the InChIKey of 1-benzyl-N-cyclohexylpyrazol-4-amine?
The InChIKey is VXUXJUUKOMQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-7-14(8-4-1)12-19-13-16(11-17-19)18-15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15,18H,2,5-6,9-10,12H2.
What are the key properties of 1-benzyl-N-cyclohexylpyrazol-4-amine?
1-benzyl-N-cyclohexylpyrazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexylpyrazol-4-amine is sourced from PubChem (CID 54866244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).