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

C13H17N3 — CID 28600445

IUPAC2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1cnn(C)c1
InChIInChI=1S/C13H17N3/c1-3-12-6-4-5-7-13(12)14-8-11-9-15-16(2)10-11/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyFLGAFFLNVODXBD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds4

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

2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 28600445) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID28600445
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCCc1ccccc1NCc1cnn(C)c1
InChIInChI=1S/C13H17N3/c1-3-12-6-4-5-7-13(12)14-8-11-9-15-16(2)10-11/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyFLGAFFLNVODXBD-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
CID 82539391
N-(2-ethylphenyl)-1-methylpyrazol-4-amine
CID 125450471
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
N-[(1-methylpyrazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)aniline;2,2,2-trifluoroacetic acid
CID 154885495
N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 103818567
N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 55214546
2-(2,2-difluoroethoxy)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71917733

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 28600445) is 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is CCc1ccccc1NCc1cnn(C)c1.
What is the InChIKey of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is FLGAFFLNVODXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-12-6-4-5-7-13(12)14-8-11-9-15-16(2)10-11/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 28600445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).