(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol

C12H14N2O2 — CID 10965992

IUPAC(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
SMILESCc1cnn(OCc2ccccc2)c1CO
InChIInChI=1S/C12H14N2O2/c1-10-7-13-14(12(10)8-15)16-9-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
InChIKeyHDRPGUSXXILJPG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.31
Rot. Bonds4

About (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol

(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol (PubChem CID 10965992) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
PubChem CID10965992
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
SMILESCc1cnn(OCc2ccccc2)c1CO
InChIInChI=1S/C12H14N2O2/c1-10-7-13-14(12(10)8-15)16-9-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
InChIKeyHDRPGUSXXILJPG-UHFFFAOYSA-N
XLogP1.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-methyl-3-phenylmethoxyimidazol-4-yl)methanol
CID 10999557
4,5-dibromo-1-phenylmethoxypyrazole
CID 10314667
2-methyl-5-phenylmethoxy-1H-imidazo[4,5-d]pyridazin-3-ium-4-one
CID 173165638
5-benzyl-1,4-dimethylpyrazole
CID 126758584
4-ethyl-1-phenylmethoxypyrazole
CID 119082094
3,5-dimethyl-1-phenylmethoxypyrazole-4-carboxylic acid;ethane
CID 143284338
4-methyl-1-(2-phenylmethoxyethyl)pyrazole-5-carbonyl chloride
CID 139407916
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
CID 122166030
ethane;ethyl 4-(5-methyl-1-phenylmethoxypyrazol-4-yl)piperidine-1-carboxylate
CID 168886594
4-chloro-1-phenylmethoxypyrazole
CID 91619331
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol?
The IUPAC name of (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol (CID 10965992) is (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol.
What is the SMILES notation for (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol?
The canonical SMILES for (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol is Cc1cnn(OCc2ccccc2)c1CO.
What is the InChIKey of (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol?
The InChIKey is HDRPGUSXXILJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-10-7-13-14(12(10)8-15)16-9-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3.
What are the key properties of (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol?
(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol has a molecular weight of 218.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-phenylmethoxypyrazol-5-yl)methanol is sourced from PubChem (CID 10965992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).