N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

C20H25N3S — CID 16677834

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCn1ncc(CN(CCc2ccccc2)Cc2cccs2)c1C
InChIInChI=1S/C20H25N3S/c1-3-23-17(2)19(14-21-23)15-22(16-20-10-7-13-24-20)12-11-18-8-5-4-6-9-18/h4-10,13-14H,3,11-12,15-16H2,1-2H3
InChIKeyKWXQAXCPXOWSDU-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.52
Rot. Bonds8

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 16677834) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID16677834
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCn1ncc(CN(CCc2ccccc2)Cc2cccs2)c1C
InChIInChI=1S/C20H25N3S/c1-3-23-17(2)19(14-21-23)15-22(16-20-10-7-13-24-20)12-11-18-8-5-4-6-9-18/h4-10,13-14H,3,11-12,15-16H2,1-2H3
InChIKeyKWXQAXCPXOWSDU-UHFFFAOYSA-N
XLogP4.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
CID 2554530
2,7,9-Trimethyl-2,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
CID 9794644
1,7,9-Trimethyl-1,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
CID 9860183
1-Ethyl-7,9-dimethyl-1,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
CID 10131111
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
CID 2998304
CID 2998304
1,6,8-Trimethyl-1,4-dihydro-5,7-dithia-1,2-diaza-as-indacene
CID 10220333
1-Isopropyl-7,9-dimethyl-1,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
CID 44330514
7,9-Dimethyl-1-propyl-1,4,5,6-tetrahydro-8-thia-1,2-diaza-cyclopenta[e]azulene
CID 44330694
(-)-(R)-2-(3-(1-(1H-pyrazol-1-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46830289
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine (CID 16677834) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is CCn1ncc(CN(CCc2ccccc2)Cc2cccs2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is KWXQAXCPXOWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-3-23-17(2)19(14-21-23)15-22(16-20-10-7-13-24-20)12-11-18-8-5-4-6-9-18/h4-10,13-14H,3,11-12,15-16H2,1-2H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 339.51 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 16677834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).