N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine

C15H21N3 — CID 55134665

IUPACN-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CCCc2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-2-16-11-15-12-17-18(13-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,2,6,9-11H2,1H3
InChIKeyHTAXKQJUBLFBKU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.63
Rot. Bonds7

About N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine

N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 55134665) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID55134665
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(CCCc2ccccc2)c1
InChIInChI=1S/C15H21N3/c1-2-16-11-15-12-17-18(13-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,2,6,9-11H2,1H3
InChIKeyHTAXKQJUBLFBKU-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[1-(4-phenylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 114334601
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
4-(2,2-dimethylpropyl)-1-(3-phenylpropyl)pyrazole
CID 59479881
N-[[1-(3-ethylsulfonylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 65097132
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]ethanamine
CID 114477113
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
CID 122168597
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 63266059
4-(1-chloroethyl)-1-(3-phenylpropyl)pyrazole
CID 62732024
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine (CID 55134665) is N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(CCCc2ccccc2)c1.
What is the InChIKey of N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is HTAXKQJUBLFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-16-11-15-12-17-18(13-15)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,12-13,16H,2,6,9-11H2,1H3.
What are the key properties of N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine?
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 55134665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).