2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

C15H21N3 — CID 103817661

IUPAC2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1cnn(C(C)C)c1
InChIInChI=1S/C15H21N3/c1-4-14-7-5-6-8-15(14)16-9-13-10-17-18(11-13)12(2)3/h5-8,10-12,16H,4,9H2,1-3H3
InChIKeyVCRHETGBRFZFAD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.64
Rot. Bonds5

About 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 103817661) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID103817661
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1cnn(C(C)C)c1
InChIInChI=1S/C15H21N3/c1-4-14-7-5-6-8-15(14)16-9-13-10-17-18(11-13)12(2)3/h5-8,10-12,16H,4,9H2,1-3H3
InChIKeyVCRHETGBRFZFAD-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
3-bromo-2-(methoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818965
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole
CID 153414844
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
1-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115697833

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (CID 103817661) is 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is CCc1ccccc1NCc1cnn(C(C)C)c1.
What is the InChIKey of 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is VCRHETGBRFZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-14-7-5-6-8-15(14)16-9-13-10-17-18(11-13)12(2)3/h5-8,10-12,16H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 243.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103817661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).