N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline

C15H21N3 — CID 62127247

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cnn(CC)c2)cc1
InChIInChI=1S/C15H21N3/c1-3-5-13-6-8-15(9-7-13)16-10-14-11-17-18(4-2)12-14/h6-9,11-12,16H,3-5,10H2,1-2H3
InChIKeyYOUJRRBRQPAXGQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.47
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline

N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline (PubChem CID 62127247) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
PubChem CID62127247
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cnn(CC)c2)cc1
InChIInChI=1S/C15H21N3/c1-3-5-13-6-8-15(9-7-13)16-10-14-11-17-18(4-2)12-14/h6-9,11-12,16H,3-5,10H2,1-2H3
InChIKeyYOUJRRBRQPAXGQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
CID 106935518
N-[(1-ethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103569272
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
propyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569201
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
ethyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569198
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
N-[(1-ethylpyrazol-4-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 103818685

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline (CID 62127247) is N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline is CCCc1ccc(NCc2cnn(CC)c2)cc1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline?
The InChIKey is YOUJRRBRQPAXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-5-13-6-8-15(9-7-13)16-10-14-11-17-18(4-2)12-14/h6-9,11-12,16H,3-5,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline?
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline is sourced from PubChem (CID 62127247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).