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

C15H27N3O — CID 114662948

IUPACN-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1c(OC)cnn1CC
InChIInChI=1S/C15H27N3O/c1-4-16-13-10-8-6-7-9-12(13)15-14(19-3)11-17-18(15)5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyNTYYNIQYTDOCTI-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.94
Rot. Bonds5

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

N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine (PubChem CID 114662948) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
PubChem CID114662948
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1c(OC)cnn1CC
InChIInChI=1S/C15H27N3O/c1-4-16-13-10-8-6-7-9-12(13)15-14(19-3)11-17-18(15)5-2/h11-13,16H,4-10H2,1-3H3
InChIKeyNTYYNIQYTDOCTI-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine
CID 114662955
2-(4-bromo-1-methylpyrazol-5-yl)-N-ethylcycloheptan-1-amine
CID 114662950
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667245
5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
CID 114665648
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-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666430
N-ethyl-2-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 62604588
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
CID 114666458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine (CID 114662948) is N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine is CCNC1CCCCCC1c1c(OC)cnn1CC.
What is the InChIKey of N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine?
The InChIKey is NTYYNIQYTDOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-16-13-10-8-6-7-9-12(13)15-14(19-3)11-17-18(15)5-2/h11-13,16H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine?
N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine is sourced from PubChem (CID 114662948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).