N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

C15H21N3 — CID 79170582

IUPACN-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-n2ccc(C)n2)c1
InChIInChI=1S/C15H21N3/c1-4-9-16-13(3)14-6-5-7-15(11-14)18-10-8-12(2)17-18/h5-8,10-11,13,16H,4,9H2,1-3H3
InChIKeySSLGSQLUYXVQHV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.24
Rot. Bonds5

About N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 79170582) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID79170582
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-n2ccc(C)n2)c1
InChIInChI=1S/C15H21N3/c1-4-9-16-13(3)14-6-5-7-15(11-14)18-10-8-12(2)17-18/h5-8,10-11,13,16H,4,9H2,1-3H3
InChIKeySSLGSQLUYXVQHV-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]propan-1-amine
CID 79166250
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
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
1-[3-(3-cyclopropylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 79170870
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline
CID 79678790
N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021648
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
3-[3-[1-(propylamino)ethyl]phenyl]-1,3-oxazolidin-2-one
CID 65295167
N-ethyl-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 55078546
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (CID 79170582) is N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-n2ccc(C)n2)c1.
What is the InChIKey of N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is SSLGSQLUYXVQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-9-16-13(3)14-6-5-7-15(11-14)18-10-8-12(2)17-18/h5-8,10-11,13,16H,4,9H2,1-3H3.
What are the key properties of N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 79170582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).