4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine

C16H29N3 — CID 104999122

IUPAC4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
SMILESCCc1cc(CC(CCC2CCCC2)NC)n(C)n1
InChIInChI=1S/C16H29N3/c1-4-14-11-16(19(3)18-14)12-15(17-2)10-9-13-7-5-6-8-13/h11,13,15,17H,4-10,12H2,1-3H3
InChIKeyXPVILVAJQSRPLE-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.08
Rot. Bonds7

About 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine

4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine (PubChem CID 104999122) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
PubChem CID104999122
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
SMILESCCc1cc(CC(CCC2CCCC2)NC)n(C)n1
InChIInChI=1S/C16H29N3/c1-4-14-11-16(19(3)18-14)12-15(17-2)10-9-13-7-5-6-8-13/h11,13,15,17H,4-10,12H2,1-3H3
InChIKeyXPVILVAJQSRPLE-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-amine
CID 104998968
1-(2,2-dimethylcyclopropyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107004635
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 79973917
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79051878
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine
CID 79058059
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(thian-2-yl)ethanamine
CID 80627164

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine (CID 104999122) is 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine is CCc1cc(CC(CCC2CCCC2)NC)n(C)n1.
What is the InChIKey of 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
The InChIKey is XPVILVAJQSRPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-14-11-16(19(3)18-14)12-15(17-2)10-9-13-7-5-6-8-13/h11,13,15,17H,4-10,12H2,1-3H3.
What are the key properties of 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 104999122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).