N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine

C18H27N3 — CID 115708566

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(C)Cc1ccc(C(C)NCCCn2cccn2)cc1
InChIInChI=1S/C18H27N3/c1-15(2)14-17-6-8-18(9-7-17)16(3)19-10-4-12-21-13-5-11-20-21/h5-9,11,13,15-16,19H,4,10,12,14H2,1-3H3
InChIKeyWRECUVRNUKHDPS-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.82
Rot. Bonds8

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115708566) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID115708566
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(C)Cc1ccc(C(C)NCCCn2cccn2)cc1
InChIInChI=1S/C18H27N3/c1-15(2)14-17-6-8-18(9-7-17)16(3)19-10-4-12-21-13-5-11-20-21/h5-9,11,13,15-16,19H,4,10,12,14H2,1-3H3
InChIKeyWRECUVRNUKHDPS-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708669
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
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
3-ethylsulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116503707
4-[1-(2-pyrazol-1-ylethylamino)ethyl]benzonitrile
CID 54951278
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115898295
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine (CID 115708566) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine is CC(C)Cc1ccc(C(C)NCCCn2cccn2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is WRECUVRNUKHDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-15(2)14-17-6-8-18(9-7-17)16(3)19-10-4-12-21-13-5-11-20-21/h5-9,11,13,15-16,19H,4,10,12,14H2,1-3H3.
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115708566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).