methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol

C16H23N3O2 — CID 144628837

IUPACmethanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol
SMILESCNc1c(C)c(C2CC(O)C2)nn1-c1ccccc1.CO
InChIInChI=1S/C15H19N3O.CH4O/c1-10-14(11-8-13(19)9-11)17-18(15(10)16-2)12-6-4-3-5-7-12;1-2/h3-7,11,13,16,19H,8-9H2,1-2H3;2H,1H3
InChIKeyODASWBJGZIZAFO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.07
Rot. Bonds3

About methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol

methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol (PubChem CID 144628837) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Namemethanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol
PubChem CID144628837
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Namemethanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol
SMILESCNc1c(C)c(C2CC(O)C2)nn1-c1ccccc1.CO
InChIInChI=1S/C15H19N3O.CH4O/c1-10-14(11-8-13(19)9-11)17-18(15(10)16-2)12-6-4-3-5-7-12;1-2/h3-7,11,13,16,19H,8-9H2,1-2H3;2H,1H3
InChIKeyODASWBJGZIZAFO-UHFFFAOYSA-N
XLogP2.07
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S,4R)-4-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[5-(3-hydroxycyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]urea
CID 71014576
4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide
CID 71845529
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 56786256
2,2-difluoroethyl N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
CID 170135997
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 75467763
trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 97315585
3-(5-amino-1-phenylpyrazol-3-yl)cyclobutan-1-ol
CID 71041206
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-fluoro-4,5-dimethoxybenzamide
CID 75468818
[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea
CID 123257754
N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-3-(methoxymethyl)benzamide
CID 75467449
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 142337220
N,4-dimethyl-3-[(2Z,4E)-octa-2,4-dien-4-yl]-1-phenylpyrazol-5-amine
CID 134567678

Frequently Asked Questions

What is the IUPAC name of methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol?
The IUPAC name of methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol (CID 144628837) is methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol.
What is the SMILES notation for methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol?
The canonical SMILES for methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol is CNc1c(C)c(C2CC(O)C2)nn1-c1ccccc1.CO.
What is the InChIKey of methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol?
The InChIKey is ODASWBJGZIZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.CH4O/c1-10-14(11-8-13(19)9-11)17-18(15(10)16-2)12-6-4-3-5-7-12;1-2/h3-7,11,13,16,19H,8-9H2,1-2H3;2H,1H3.
What are the key properties of methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol?
methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 144628837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).