2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol

C11H17N5O — CID 103014205

IUPAC2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
SMILESCn1cc(CCn2cc(C(C)(C)O)nn2)cn1
InChIInChI=1S/C11H17N5O/c1-11(2,17)10-8-16(14-13-10)5-4-9-6-12-15(3)7-9/h6-8,17H,4-5H2,1-3H3
InChIKeyUMMUDOSOLWOJIS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.48
Rot. Bonds4

About 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol (PubChem CID 103014205) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
PubChem CID103014205
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
SMILESCn1cc(CCn2cc(C(C)(C)O)nn2)cn1
InChIInChI=1S/C11H17N5O/c1-11(2,17)10-8-16(14-13-10)5-4-9-6-12-15(3)7-9/h6-8,17H,4-5H2,1-3H3
InChIKeyUMMUDOSOLWOJIS-UHFFFAOYSA-N
XLogP0.48
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(1-methylpyrazol-4-yl)methyl]triazol-4-yl]butan-2-ol
CID 146083108
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid
CID 107461871
4-(2-methoxypropan-2-yl)-1-[(1-methylpyrazol-4-yl)methyl]triazole
CID 146135460
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
2-amino-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propanoic acid
CID 103014103
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol
CID 138056433
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
CID 146140960

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol (CID 103014205) is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol is Cn1cc(CCn2cc(C(C)(C)O)nn2)cn1.
What is the InChIKey of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol?
The InChIKey is UMMUDOSOLWOJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,17)10-8-16(14-13-10)5-4-9-6-12-15(3)7-9/h6-8,17H,4-5H2,1-3H3.
What are the key properties of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol?
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 103014205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).