N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline

C15H21N3 — CID 112549337

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
SMILESCCc1nn(C)cc1CNc1cc(C)cc(C)c1
InChIInChI=1S/C15H21N3/c1-5-15-13(10-18(4)17-15)9-16-14-7-11(2)6-12(3)8-14/h6-8,10,16H,5,9H2,1-4H3
InChIKeyBDOMHUIUFHUUAH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.21
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline (PubChem CID 112549337) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
PubChem CID112549337
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
SMILESCCc1nn(C)cc1CNc1cc(C)cc(C)c1
InChIInChI=1S/C15H21N3/c1-5-15-13(10-18(4)17-15)9-16-14-7-11(2)6-12(3)8-14/h6-8,10,16H,5,9H2,1-4H3
InChIKeyBDOMHUIUFHUUAH-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103894043
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
3-bromo-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 102823300
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
2,4,6-tribromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668796
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridazin-3-amine
CID 106549913
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,3-diamine
CID 112668268
1-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 112668204
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline (CID 112549337) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline is CCc1nn(C)cc1CNc1cc(C)cc(C)c1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline?
The InChIKey is BDOMHUIUFHUUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-15-13(10-18(4)17-15)9-16-14-7-11(2)6-12(3)8-14/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 112549337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).