1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine

C17H27N5O — CID 154761785

IUPAC1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
SMILESCCn1cc(C(C)NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C17H27N5O/c1-4-22-12-15(11-20-22)13(2)19-10-14-6-5-9-23-16(14)17-18-7-8-21(17)3/h7-8,11-14,16,19H,4-6,9-10H2,1-3H3/t13?,14-,16+/m0/s1
InChIKeyWLGWADWXUAIGRU-JGKCFBKVSA-N
MW317.44 g/mol
LogP2.45
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine

1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine (PubChem CID 154761785) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
PubChem CID154761785
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
SMILESCCn1cc(C(C)NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1
InChIInChI=1S/C17H27N5O/c1-4-22-12-15(11-20-22)13(2)19-10-14-6-5-9-23-16(14)17-18-7-8-21(17)3/h7-8,11-14,16,19H,4-6,9-10H2,1-3H3/t13?,14-,16+/m0/s1
InChIKeyWLGWADWXUAIGRU-JGKCFBKVSA-N
XLogP2.45
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine
CID 167805099
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154761202
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
CID 167941440
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 71928582
1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583918
6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
CID 154761375
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide
CID 154795416
(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 97217303

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine (CID 154761785) is 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine is CCn1cc(C(C)NC[C@@H]2CCCO[C@H]2c2nccn2C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine?
The InChIKey is WLGWADWXUAIGRU-JGKCFBKVSA-N. The full InChI is InChI=1S/C17H27N5O/c1-4-22-12-15(11-20-22)13(2)19-10-14-6-5-9-23-16(14)17-18-7-8-21(17)3/h7-8,11-14,16,19H,4-6,9-10H2,1-3H3/t13?,14-,16+/m0/s1.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine?
1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine has a molecular weight of 317.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 154761785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).