N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine

C16H26ClN3 — CID 114667373

IUPACN-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
SMILESCCn1ncc(Cl)c1C1CCCCCC1CNC1CC1
InChIInChI=1S/C16H26ClN3/c1-2-20-16(15(17)11-19-20)14-7-5-3-4-6-12(14)10-18-13-8-9-13/h11-14,18H,2-10H2,1H3
InChIKeyUWXMSDCBTXHGLI-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.97
Rot. Bonds5

About N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine

N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 114667373) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
PubChem CID114667373
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
SMILESCCn1ncc(Cl)c1C1CCCCCC1CNC1CC1
InChIInChI=1S/C16H26ClN3/c1-2-20-16(15(17)11-19-20)14-7-5-3-4-6-12(14)10-18-13-8-9-13/h11-14,18H,2-10H2,1H3
InChIKeyUWXMSDCBTXHGLI-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667254
N-[[2-(4-chloro-1-propylpyrazol-5-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114667437
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667245
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 114667419
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 114667485
1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
CID 114667328
1-[2-(4-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101
2-(4-chloro-1-ethylpyrazol-5-yl)azepane
CID 114663189
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
CID 81025720
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 114667577
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114666556

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine (CID 114667373) is N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine is CCn1ncc(Cl)c1C1CCCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is UWXMSDCBTXHGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-2-20-16(15(17)11-19-20)14-7-5-3-4-6-12(14)10-18-13-8-9-13/h11-14,18H,2-10H2,1H3.
What are the key properties of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine?
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 295.86 g/mol, XLogP of 3.97, 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-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 114667373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).