(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

C15H27N3 — CID 81393534

IUPAC(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCn1cc(CN[C@@H](C)C2CCCCCC2)cn1
InChIInChI=1S/C15H27N3/c1-3-18-12-14(11-17-18)10-16-13(2)15-8-6-4-5-7-9-15/h11-13,15-16H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyOJNKRAJYSXYXGN-ZDUSSCGKSA-N
MW249.40 g/mol
LogP3.35
Rot. Bonds5

About (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 81393534) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID81393534
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCn1cc(CN[C@@H](C)C2CCCCCC2)cn1
InChIInChI=1S/C15H27N3/c1-3-18-12-14(11-17-18)10-16-13(2)15-8-6-4-5-7-9-15/h11-13,15-16H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyOJNKRAJYSXYXGN-ZDUSSCGKSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
CID 81025706
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 81393534) is (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is CCn1cc(CN[C@@H](C)C2CCCCCC2)cn1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OJNKRAJYSXYXGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-18-12-14(11-17-18)10-16-13(2)15-8-6-4-5-7-9-15/h11-13,15-16H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81393534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).