N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine

C18H27N3 — CID 43406597

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H27N3/c1-4-5-6-10-13-19-14-18-15(2)20-21(16(18)3)17-11-8-7-9-12-17/h7-9,11-12,19H,4-6,10,13-14H2,1-3H3
InChIKeyJHRXMBMTMKMWJT-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.16
Rot. Bonds8

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine (PubChem CID 43406597) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
PubChem CID43406597
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H27N3/c1-4-5-6-10-13-19-14-18-15(2)20-21(16(18)3)17-11-8-7-9-12-17/h7-9,11-12,19H,4-6,10,13-14H2,1-3H3
InChIKeyJHRXMBMTMKMWJT-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639387
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
N-[(3-methyl-1-phenyl-5-propylpyrazol-4-yl)methyl]butan-1-amine
CID 20721175
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61272711
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 8851232
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 115592625
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine (CID 43406597) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine is CCCCCCNCc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine?
The InChIKey is JHRXMBMTMKMWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-4-5-6-10-13-19-14-18-15(2)20-21(16(18)3)17-11-8-7-9-12-17/h7-9,11-12,19H,4-6,10,13-14H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine is sourced from PubChem (CID 43406597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).