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

C14H19N3 — CID 79170432

IUPACN-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3/c1-3-8-15-12(2)13-6-4-7-14(11-13)17-10-5-9-16-17/h4-7,9-12,15H,3,8H2,1-2H3
InChIKeyDUMJZSNGADRJDE-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.93
Rot. Bonds5

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

N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine (PubChem CID 79170432) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
PubChem CID79170432
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3/c1-3-8-15-12(2)13-6-4-7-14(11-13)17-10-5-9-16-17/h4-7,9-12,15H,3,8H2,1-2H3
InChIKeyDUMJZSNGADRJDE-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170582
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985562
N-[1-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]propan-1-amine
CID 79166250
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 75442926
1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one
CID 166364494
1-[3-[1-(propylamino)ethyl]phenyl]-1,2,4-triazole-3-carbonitrile
CID 79170220
N-[1-[3-(4,5-dimethylimidazol-1-yl)phenyl]ethyl]propan-1-amine
CID 79170436
(1S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 97334226
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine (CID 79170432) is N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine is CCCNC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine?
The InChIKey is DUMJZSNGADRJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-8-15-12(2)13-6-4-7-14(11-13)17-10-5-9-16-17/h4-7,9-12,15H,3,8H2,1-2H3.
What are the key properties of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine?
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79170432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).