2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol

C13H23N3O2 — CID 178105929

IUPAC2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol
SMILESCc1c(C(C)NCCO)cnn1C1CCCCO1
InChIInChI=1S/C13H23N3O2/c1-10(14-6-7-17)12-9-15-16(11(12)2)13-5-3-4-8-18-13/h9-10,13-14,17H,3-8H2,1-2H3
InChIKeyMCTVSMCOHSWNPW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.53
Rot. Bonds5

About 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol

2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol (PubChem CID 178105929) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol
PubChem CID178105929
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol
SMILESCc1c(C(C)NCCO)cnn1C1CCCCO1
InChIInChI=1S/C13H23N3O2/c1-10(14-6-7-17)12-9-15-16(11(12)2)13-5-3-4-8-18-13/h9-10,13-14,17H,3-8H2,1-2H3
InChIKeyMCTVSMCOHSWNPW-UHFFFAOYSA-N
XLogP1.53
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine
CID 61270593
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
CID 177150139
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697
N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[(2R)-oxan-2-yl]propanamide
CID 97212156
2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol
CID 171613608
1-[(2S)-oxan-2-yl]indazole
CID 124562379
4-bromo-5-methyl-2-(oxan-2-yl)pyridazin-3-one;ethane
CID 143487583
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol?
The IUPAC name of 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol (CID 178105929) is 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol.
What is the SMILES notation for 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol?
The canonical SMILES for 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol is Cc1c(C(C)NCCO)cnn1C1CCCCO1.
What is the InChIKey of 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol?
The InChIKey is MCTVSMCOHSWNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(14-6-7-17)12-9-15-16(11(12)2)13-5-3-4-8-18-13/h9-10,13-14,17H,3-8H2,1-2H3.
What are the key properties of 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol?
2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol has a molecular weight of 253.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-methyl-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethanol is sourced from PubChem (CID 178105929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).