N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine

C15H24ClN3 — CID 79606791

IUPACN-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
SMILESCCn1nc(C)c(Cl)c1CC(C)=CCCNC1CC1
InChIInChI=1S/C15H24ClN3/c1-4-19-14(15(16)12(3)18-19)10-11(2)6-5-9-17-13-7-8-13/h6,13,17H,4-5,7-10H2,1-3H3
InChIKeyHTHKOSRATRFYAW-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.50
Rot. Bonds7

About N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine

N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine (PubChem CID 79606791) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
PubChem CID79606791
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
SMILESCCn1nc(C)c(Cl)c1CC(C)=CCCNC1CC1
InChIInChI=1S/C15H24ClN3/c1-4-19-14(15(16)12(3)18-19)10-11(2)6-5-9-17-13-7-8-13/h6,13,17H,4-5,7-10H2,1-3H3
InChIKeyHTHKOSRATRFYAW-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(5-chloro-2-methylpent-2-enyl)-1-ethyl-3-methylpyrazole
CID 79602947
N-[5-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79607034
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-methylpent-3-en-1-amine
CID 79598465
5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79593134
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-1-amine
CID 79592019
4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111078
N-[4-methyl-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-enyl]cyclopropanamine
CID 79597866
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N'-hydroxyethanimidamide
CID 77103862
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(thiolan-2-yl)ethanone
CID 80621937
[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol
CID 106360894
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543734
N-[(E)-4-(4-chloro-1-ethylpyrazol-5-yl)but-3-enyl]cyclopropanamine
CID 114666244

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine?
The IUPAC name of N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine (CID 79606791) is N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine is CCn1nc(C)c(Cl)c1CC(C)=CCCNC1CC1.
What is the InChIKey of N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine?
The InChIKey is HTHKOSRATRFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-19-14(15(16)12(3)18-19)10-11(2)6-5-9-17-13-7-8-13/h6,13,17H,4-5,7-10H2,1-3H3.
What are the key properties of N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine?
N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine has a molecular weight of 281.83 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79606791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).