(1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C13H23N3O — CID 164643232

IUPAC(1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCOC1([C@H](C)NCc2ccn[nH]2)CCCCC1
InChIInChI=1S/C13H23N3O/c1-11(14-10-12-6-9-15-16-12)13(17-2)7-4-3-5-8-13/h6,9,11,14H,3-5,7-8,10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyYWUGJBDWLYOCJE-NSHDSACASA-N
MW237.35 g/mol
LogP2.24
Rot. Bonds5

About (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

(1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 164643232) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID164643232
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCOC1([C@H](C)NCc2ccn[nH]2)CCCCC1
InChIInChI=1S/C13H23N3O/c1-11(14-10-12-6-9-15-16-12)13(17-2)7-4-3-5-8-13/h6,9,11,14H,3-5,7-8,10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyYWUGJBDWLYOCJE-NSHDSACASA-N
XLogP2.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 164643232) is (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is COC1([C@H](C)NCc2ccn[nH]2)CCCCC1.
What is the InChIKey of (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is YWUGJBDWLYOCJE-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(14-10-12-6-9-15-16-12)13(17-2)7-4-3-5-8-13/h6,9,11,14H,3-5,7-8,10H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
(1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methoxycyclohexyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 164643232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).