benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol

C17H15N5O — CID 4588945

IUPACbenzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol
SMILESCc1cn(-c2ccccc2)nc1C(O)n1nnc2ccccc21
InChIInChI=1S/C17H15N5O/c1-12-11-21(13-7-3-2-4-8-13)19-16(12)17(23)22-15-10-6-5-9-14(15)18-20-22/h2-11,17,23H,1H3
InChIKeyUDGSOYRGHIKEML-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.46
Rot. Bonds3

About benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol

benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol (PubChem CID 4588945) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Namebenzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol
PubChem CID4588945
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Namebenzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol
SMILESCc1cn(-c2ccccc2)nc1C(O)n1nnc2ccccc21
InChIInChI=1S/C17H15N5O/c1-12-11-21(13-7-3-2-4-8-13)19-16(12)17(23)22-15-10-6-5-9-14(15)18-20-22/h2-11,17,23H,1H3
InChIKeyUDGSOYRGHIKEML-UHFFFAOYSA-N
XLogP2.46
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
1-[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)propyl]benzotriazole
CID 3828337
benzotriazol-1-yl-(1,3-diphenylpyrazol-4-yl)methanone
CID 1409855
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
2-(4-methyl-1-phenylpyrazol-3-yl)ethanol
CID 142747347
2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
CID 111464580
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol?
The IUPAC name of benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol (CID 4588945) is benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol?
The canonical SMILES for benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol is Cc1cn(-c2ccccc2)nc1C(O)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol?
The InChIKey is UDGSOYRGHIKEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12-11-21(13-7-3-2-4-8-13)19-16(12)17(23)22-15-10-6-5-9-14(15)18-20-22/h2-11,17,23H,1H3.
What are the key properties of benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol?
benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol has a molecular weight of 305.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(4-methyl-1-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 4588945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).