N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine

C16H29N3O — CID 114662955

IUPACN-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine
SMILESCCCn1ncc(OC)c1C1CCCCCC1NCC
InChIInChI=1S/C16H29N3O/c1-4-11-19-16(15(20-3)12-18-19)13-9-7-6-8-10-14(13)17-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeyBGFLLKONBCKQNE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.33
Rot. Bonds6

About N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine

N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine (PubChem CID 114662955) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine
PubChem CID114662955
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine
SMILESCCCn1ncc(OC)c1C1CCCCCC1NCC
InChIInChI=1S/C16H29N3O/c1-4-11-19-16(15(20-3)12-18-19)13-9-7-6-8-10-14(13)17-5-2/h12-14,17H,4-11H2,1-3H3
InChIKeyBGFLLKONBCKQNE-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
CID 114662948
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667245
3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
CID 114664731
2-(4-bromo-1-methylpyrazol-5-yl)-N-ethylcycloheptan-1-amine
CID 114662950
2-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclohexan-1-amine
CID 114662862
N-ethyl-2-(1-methylpyrazol-4-yl)cycloheptan-1-amine
CID 62605145
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 105048780
N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 62604588
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
N-ethyl-3-(4-methoxy-1-propylpyrazol-5-yl)-3-methylcyclopentan-1-amine
CID 114664844
N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
CID 114690150

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine (CID 114662955) is N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine is CCCn1ncc(OC)c1C1CCCCCC1NCC.
What is the InChIKey of N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine?
The InChIKey is BGFLLKONBCKQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-11-19-16(15(20-3)12-18-19)13-9-7-6-8-10-14(13)17-5-2/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine?
N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine is sourced from PubChem (CID 114662955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).