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

C15H24ClN3 — CID 114667254

IUPACN-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCn1ncc(Cl)c1C1CCCCC1CNC1CC1
InChIInChI=1S/C15H24ClN3/c1-2-19-15(14(16)10-18-19)13-6-4-3-5-11(13)9-17-12-7-8-12/h10-13,17H,2-9H2,1H3
InChIKeyPMSCPZHQYUNWMV-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.58
Rot. Bonds5

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

N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 114667254) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
PubChem CID114667254
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCn1ncc(Cl)c1C1CCCCC1CNC1CC1
InChIInChI=1S/C15H24ClN3/c1-2-19-15(14(16)10-18-19)13-6-4-3-5-11(13)9-17-12-7-8-12/h10-13,17H,2-9H2,1H3
InChIKeyPMSCPZHQYUNWMV-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
CID 114667373
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-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 114667577
1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
CID 114667328
2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114666556
2-(4-chloro-1-ethylpyrazol-5-yl)azepane
CID 114663189
N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81027132
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
CID 81025720

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine (CID 114667254) is N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine is CCn1ncc(Cl)c1C1CCCCC1CNC1CC1.
What is the InChIKey of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is PMSCPZHQYUNWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-2-19-15(14(16)10-18-19)13-6-4-3-5-11(13)9-17-12-7-8-12/h10-13,17H,2-9H2,1H3.
What are the key properties of N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 3.58, 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)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114667254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).