N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

C17H25N3 — CID 115708568

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(C)c1ccc(C(C)NCCCn2cccn2)cc1
InChIInChI=1S/C17H25N3/c1-14(2)16-6-8-17(9-7-16)15(3)18-10-4-12-20-13-5-11-19-20/h5-9,11,13-15,18H,4,10,12H2,1-3H3
InChIKeyCJFQXZJTMQYZOE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.75
Rot. Bonds7

About N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine

N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115708568) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID115708568
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(C)c1ccc(C(C)NCCCn2cccn2)cc1
InChIInChI=1S/C17H25N3/c1-14(2)16-6-8-17(9-7-16)15(3)18-10-4-12-20-13-5-11-19-20/h5-9,11,13-15,18H,4,10,12H2,1-3H3
InChIKeyCJFQXZJTMQYZOE-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.75
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

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708669
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
4-[1-(2-pyrazol-1-ylethylamino)ethyl]benzonitrile
CID 54951278
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112700089
1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 86995782
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine (CID 115708568) is N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is CC(C)c1ccc(C(C)NCCCn2cccn2)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is CJFQXZJTMQYZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)16-6-8-17(9-7-16)15(3)18-10-4-12-20-13-5-11-19-20/h5-9,11,13-15,18H,4,10,12H2,1-3H3.
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine?
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115708568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).