N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline

C13H17N3 — CID 19614682

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
SMILESCCn1cc(CNc2ccccc2)c(C)n1
InChIInChI=1S/C13H17N3/c1-3-16-10-12(11(2)15-16)9-14-13-7-5-4-6-8-13/h4-8,10,14H,3,9H2,1-2H3
InChIKeyINGGVACWPSFQSQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.82
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline (PubChem CID 19614682) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
PubChem CID19614682
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
SMILESCCn1cc(CNc2ccccc2)c(C)n1
InChIInChI=1S/C13H17N3/c1-3-16-10-12(11(2)15-16)9-14-13-7-5-4-6-8-13/h4-8,10,14H,3,9H2,1-2H3
InChIKeyINGGVACWPSFQSQ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
CID 19626104
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 19626564
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167620
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 19288572
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167177
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126965460
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline (CID 19614682) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline is CCn1cc(CNc2ccccc2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is INGGVACWPSFQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-16-10-12(11(2)15-16)9-14-13-7-5-4-6-8-13/h4-8,10,14H,3,9H2,1-2H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 19614682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).