4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide

C20H28N4O2 — CID 171353782

IUPAC4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide
SMILESO=C(CCCn1cc(CNC2CCCCC2)c(-c2ccccc2)n1)NO
InChIInChI=1S/C20H28N4O2/c25-19(23-26)12-7-13-24-15-17(14-21-18-10-5-2-6-11-18)20(22-24)16-8-3-1-4-9-16/h1,3-4,8-9,15,18,21,26H,2,5-7,10-14H2,(H,23,25)
InChIKeyJYDCSNUDYUATTI-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.26
Rot. Bonds8

About 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide

4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide (PubChem CID 171353782) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide
PubChem CID171353782
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide
SMILESO=C(CCCn1cc(CNC2CCCCC2)c(-c2ccccc2)n1)NO
InChIInChI=1S/C20H28N4O2/c25-19(23-26)12-7-13-24-15-17(14-21-18-10-5-2-6-11-18)20(22-24)16-8-3-1-4-9-16/h1,3-4,8-9,15,18,21,26H,2,5-7,10-14H2,(H,23,25)
InChIKeyJYDCSNUDYUATTI-UHFFFAOYSA-N
XLogP3.26
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide?
The IUPAC name of 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide (CID 171353782) is 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide.
What is the SMILES notation for 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide?
The canonical SMILES for 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide is O=C(CCCn1cc(CNC2CCCCC2)c(-c2ccccc2)n1)NO.
What is the InChIKey of 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide?
The InChIKey is JYDCSNUDYUATTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19(23-26)12-7-13-24-15-17(14-21-18-10-5-2-6-11-18)20(22-24)16-8-3-1-4-9-16/h1,3-4,8-9,15,18,21,26H,2,5-7,10-14H2,(H,23,25).
What are the key properties of 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide?
4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide has a molecular weight of 356.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(cyclohexylamino)methyl]-3-phenylpyrazol-1-yl]-N-hydroxybutanamide is sourced from PubChem (CID 171353782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).