(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

C14H25N3 — CID 81388692

IUPAC(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCCC1)c1ccn[nH]1
InChIInChI=1S/C14H25N3/c1-11(13-7-5-3-4-6-8-13)16-12(2)14-9-10-15-17-14/h9-13,16H,3-8H2,1-2H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyAIYGNDLSEAMPOO-PXYINDEMSA-N
MW235.38 g/mol
LogP3.42
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (PubChem CID 81388692) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
PubChem CID81388692
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCCC1)c1ccn[nH]1
InChIInChI=1S/C14H25N3/c1-11(13-7-5-3-4-6-8-13)16-12(2)14-9-10-15-17-14/h9-13,16H,3-8H2,1-2H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyAIYGNDLSEAMPOO-PXYINDEMSA-N
XLogP3.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81390762
1-piperidin-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881889
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 60971542
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881873
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (CID 81388692) is (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is CC(N[C@@H](C)C1CCCCCC1)c1ccn[nH]1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The InChIKey is AIYGNDLSEAMPOO-PXYINDEMSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(13-7-5-3-4-6-8-13)16-12(2)14-9-10-15-17-14/h9-13,16H,3-8H2,1-2H3,(H,15,17)/t11-,12?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine has a molecular weight of 235.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81388692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).