2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C18H29N5O2 — CID 97060252

IUPAC2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2c(C)nn(CCO)c2C)cn1
InChIInChI=1S/C18H29N5O2/c1-4-22-12-16(10-20-22)18-15(5-8-25-18)9-19-11-17-13(2)21-23(6-7-24)14(17)3/h10,12,15,18-19,24H,4-9,11H2,1-3H3/t15-,18-/m0/s1
InChIKeyTUSOCFSLDUJJHH-YJBOKZPZSA-N
MW347.46 g/mol
LogP1.58
Rot. Bonds8

About 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 97060252) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID97060252
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2c(C)nn(CCO)c2C)cn1
InChIInChI=1S/C18H29N5O2/c1-4-22-12-16(10-20-22)18-15(5-8-25-18)9-19-11-17-13(2)21-23(6-7-24)14(17)3/h10,12,15,18-19,24H,4-9,11H2,1-3H3/t15-,18-/m0/s1
InChIKeyTUSOCFSLDUJJHH-YJBOKZPZSA-N
XLogP1.58
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol with MolForge

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 96997495
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 97060246
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 154761305
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 96510850
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 71873016

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 97060252) is 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is CCn1cc([C@H]2OCC[C@H]2CNCc2c(C)nn(CCO)c2C)cn1.
What is the InChIKey of 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is TUSOCFSLDUJJHH-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-22-12-16(10-20-22)18-15(5-8-25-18)9-19-11-17-13(2)21-23(6-7-24)14(17)3/h10,12,15,18-19,24H,4-9,11H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 347.46 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 97060252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).