6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol

C15H21N3O — CID 107703748

IUPAC6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
SMILESNc1cccc(-c2cnn(CCCCCCO)c2)c1
InChIInChI=1S/C15H21N3O/c16-15-7-5-6-13(10-15)14-11-17-18(12-14)8-3-1-2-4-9-19/h5-7,10-12,19H,1-4,8-9,16H2
InChIKeyKCKCBWZTNSERIJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds7

About 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol

6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol (PubChem CID 107703748) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
PubChem CID107703748
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
SMILESNc1cccc(-c2cnn(CCCCCCO)c2)c1
InChIInChI=1S/C15H21N3O/c16-15-7-5-6-13(10-15)14-11-17-18(12-14)8-3-1-2-4-9-19/h5-7,10-12,19H,1-4,8-9,16H2
InChIKeyKCKCBWZTNSERIJ-UHFFFAOYSA-N
XLogP2.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(3-aminophenyl)pyrazol-1-yl]butanoate
CID 63338020
3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63338279
3-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]aniline
CID 107042842
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
CID 63338058
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
CID 172649346
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 63338592
3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]aniline
CID 63338103
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]aniline
CID 63338451
3-[1-(2-hydroxyethyl)pyrazol-4-yl]benzaldehyde
CID 172649272
3-[1-(1,3-thiazol-5-ylmethyl)pyrazol-4-yl]aniline
CID 112640525

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol (CID 107703748) is 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol is Nc1cccc(-c2cnn(CCCCCCO)c2)c1.
What is the InChIKey of 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol?
The InChIKey is KCKCBWZTNSERIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15-7-5-6-13(10-15)14-11-17-18(12-14)8-3-1-2-4-9-19/h5-7,10-12,19H,1-4,8-9,16H2.
What are the key properties of 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol?
6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol is sourced from PubChem (CID 107703748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).