N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine

C16H23N3 — CID 102812013

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1cn(C)nc1CC
InChIInChI=1S/C16H23N3/c1-5-15-14(11-19(4)18-15)16(17-6-2)13-10-8-7-9-12(13)3/h7-11,16-17H,5-6H2,1-4H3
InChIKeyKHYHQLHYGULZSI-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine (PubChem CID 102812013) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
PubChem CID102812013
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)c1cn(C)nc1CC
InChIInChI=1S/C16H23N3/c1-5-15-14(11-19(4)18-15)16(17-6-2)13-10-8-7-9-12(13)3/h7-11,16-17H,5-6H2,1-4H3
InChIKeyKHYHQLHYGULZSI-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 102812685
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 102812063
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
CID 105094633
N-[(2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989694
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 112669631
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115990377
N-[(3-ethyl-1-methylpyrazol-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 102812742
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine (CID 102812013) is N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)c1cn(C)nc1CC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine?
The InChIKey is KHYHQLHYGULZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-15-14(11-19(4)18-15)16(17-6-2)13-10-8-7-9-12(13)3/h7-11,16-17H,5-6H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.99, 5 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)-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 102812013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).