N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine

C16H23N3 — CID 103135118

IUPACN-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
SMILESCCNC(c1ccn(C)n1)C(CC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-14(13-9-7-6-8-10-13)16(17-5-2)15-11-12-19(3)18-15/h6-12,14,16-17H,4-5H2,1-3H3
InChIKeyNIBXAYPUGSYVLQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine

N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine (PubChem CID 103135118) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
PubChem CID103135118
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
SMILESCCNC(c1ccn(C)n1)C(CC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-14(13-9-7-6-8-10-13)16(17-5-2)15-11-12-19(3)18-15/h6-12,14,16-17H,4-5H2,1-3H3
InChIKeyNIBXAYPUGSYVLQ-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 103135439
2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-1-amine
CID 103131371
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
CID 115855374
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
CID 106464980
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-[(1-methylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 65200804
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
N-[(2-ethylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135731
N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105170634
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine (CID 103135118) is N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine is CCNC(c1ccn(C)n1)C(CC)c1ccccc1.
What is the InChIKey of N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine?
The InChIKey is NIBXAYPUGSYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-14(13-9-7-6-8-10-13)16(17-5-2)15-11-12-19(3)18-15/h6-12,14,16-17H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine?
N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 103135118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).