5-(2-pyrazol-1-ylanilino)pentan-1-ol

C14H19N3O — CID 111770347

IUPAC5-(2-pyrazol-1-ylanilino)pentan-1-ol
SMILESOCCCCCNc1ccccc1-n1cccn1
InChIInChI=1S/C14H19N3O/c18-12-5-1-4-9-15-13-7-2-3-8-14(13)17-11-6-10-16-17/h2-3,6-8,10-11,15,18H,1,4-5,9,12H2
InChIKeyGCXUZMXZCXDDIP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds7

About 5-(2-pyrazol-1-ylanilino)pentan-1-ol

5-(2-pyrazol-1-ylanilino)pentan-1-ol (PubChem CID 111770347) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(2-pyrazol-1-ylanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-pyrazol-1-ylanilino)pentan-1-ol
PubChem CID111770347
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(2-pyrazol-1-ylanilino)pentan-1-ol
SMILESOCCCCCNc1ccccc1-n1cccn1
InChIInChI=1S/C14H19N3O/c18-12-5-1-4-9-15-13-7-2-3-8-14(13)17-11-6-10-16-17/h2-3,6-8,10-11,15,18H,1,4-5,9,12H2
InChIKeyGCXUZMXZCXDDIP-UHFFFAOYSA-N
XLogP2.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
N-octyl-2-(1,2,4-triazol-1-yl)aniline
CID 43711465
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
CID 107441576
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazol-1-ylanilino)pentan-1-ol?
The IUPAC name of 5-(2-pyrazol-1-ylanilino)pentan-1-ol (CID 111770347) is 5-(2-pyrazol-1-ylanilino)pentan-1-ol.
What is the SMILES notation for 5-(2-pyrazol-1-ylanilino)pentan-1-ol?
The canonical SMILES for 5-(2-pyrazol-1-ylanilino)pentan-1-ol is OCCCCCNc1ccccc1-n1cccn1.
What is the InChIKey of 5-(2-pyrazol-1-ylanilino)pentan-1-ol?
The InChIKey is GCXUZMXZCXDDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-12-5-1-4-9-15-13-7-2-3-8-14(13)17-11-6-10-16-17/h2-3,6-8,10-11,15,18H,1,4-5,9,12H2.
What are the key properties of 5-(2-pyrazol-1-ylanilino)pentan-1-ol?
5-(2-pyrazol-1-ylanilino)pentan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazol-1-ylanilino)pentan-1-ol is sourced from PubChem (CID 111770347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).