10-(4-phenylpyrazol-1-yl)decan-1-amine

C19H29N3 — CID 150162722

IUPAC10-(4-phenylpyrazol-1-yl)decan-1-amine
SMILESNCCCCCCCCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C19H29N3/c20-14-10-5-3-1-2-4-6-11-15-22-17-19(16-21-22)18-12-8-7-9-13-18/h7-9,12-13,16-17H,1-6,10-11,14-15,20H2
InChIKeyFHTUVVJHUVGHET-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.63
Rot. Bonds11

About 10-(4-phenylpyrazol-1-yl)decan-1-amine

10-(4-phenylpyrazol-1-yl)decan-1-amine (PubChem CID 150162722) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 10-(4-phenylpyrazol-1-yl)decan-1-amine.

Molecular Properties

Compound Name10-(4-phenylpyrazol-1-yl)decan-1-amine
PubChem CID150162722
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name10-(4-phenylpyrazol-1-yl)decan-1-amine
SMILESNCCCCCCCCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C19H29N3/c20-14-10-5-3-1-2-4-6-11-15-22-17-19(16-21-22)18-12-8-7-9-13-18/h7-9,12-13,16-17H,1-6,10-11,14-15,20H2
InChIKeyFHTUVVJHUVGHET-UHFFFAOYSA-N
XLogP4.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
CID 103482340
5-(4-phenylpyrazol-1-yl)pentan-2-one
CID 55113154
5-(4-phenylpyrazol-1-yl)-N-propylpentan-1-amine
CID 62771348
1-[3-(4-phenylpyrazol-1-yl)propyl]pyrazol-3-amine
CID 63311458
3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608391
1-(3-methylsulfonylpropyl)-4-phenylpyrazole
CID 23594763
2,2-dimethyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 106714171
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164608301
3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
CID 121214021

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenylpyrazol-1-yl)decan-1-amine?
The IUPAC name of 10-(4-phenylpyrazol-1-yl)decan-1-amine (CID 150162722) is 10-(4-phenylpyrazol-1-yl)decan-1-amine.
What is the SMILES notation for 10-(4-phenylpyrazol-1-yl)decan-1-amine?
The canonical SMILES for 10-(4-phenylpyrazol-1-yl)decan-1-amine is NCCCCCCCCCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 10-(4-phenylpyrazol-1-yl)decan-1-amine?
The InChIKey is FHTUVVJHUVGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c20-14-10-5-3-1-2-4-6-11-15-22-17-19(16-21-22)18-12-8-7-9-13-18/h7-9,12-13,16-17H,1-6,10-11,14-15,20H2.
What are the key properties of 10-(4-phenylpyrazol-1-yl)decan-1-amine?
10-(4-phenylpyrazol-1-yl)decan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenylpyrazol-1-yl)decan-1-amine is sourced from PubChem (CID 150162722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).