N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine

C16H26ClN3 — CID 114667485

IUPACN-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2c(Cl)cnn2C)C1
InChIInChI=1S/C16H26ClN3/c1-3-11-4-5-12(9-18-13-6-7-13)14(8-11)16-15(17)10-19-20(16)2/h10-14,18H,3-9H2,1-2H3
InChIKeyABVNCKRFQZGKAI-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.74
Rot. Bonds5

About N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine

N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 114667485) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
PubChem CID114667485
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(c2c(Cl)cnn2C)C1
InChIInChI=1S/C16H26ClN3/c1-3-11-4-5-12(9-18-13-6-7-13)14(8-11)16-15(17)10-19-20(16)2/h10-14,18H,3-9H2,1-2H3
InChIKeyABVNCKRFQZGKAI-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine (CID 114667485) is N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(c2c(Cl)cnn2C)C1.
What is the InChIKey of N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is ABVNCKRFQZGKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-11-4-5-12(9-18-13-6-7-13)14(8-11)16-15(17)10-19-20(16)2/h10-14,18H,3-9H2,1-2H3.
What are the key properties of N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 295.86 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114667485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).