4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole

C12H13N3O — CID 134423680

IUPAC4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
SMILESCc1cnn(Cc2ccc(CN=O)cc2)c1
InChIInChI=1S/C12H13N3O/c1-10-6-13-15(8-10)9-12-4-2-11(3-5-12)7-14-16/h2-6,8H,7,9H2,1H3
InChIKeyQTZUVAUADNGJHL-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.51
Rot. Bonds4

About 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole

4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole (PubChem CID 134423680) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
PubChem CID134423680
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
SMILESCc1cnn(Cc2ccc(CN=O)cc2)c1
InChIInChI=1S/C12H13N3O/c1-10-6-13-15(8-10)9-12-4-2-11(3-5-12)7-14-16/h2-6,8H,7,9H2,1H3
InChIKeyQTZUVAUADNGJHL-UHFFFAOYSA-N
XLogP2.51
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole
CID 118871359
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile
CID 151524660
methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
CID 150282683
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918
2-bromo-5-[(4-methylpyrazol-1-yl)methyl]aniline
CID 115557328

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole?
The IUPAC name of 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole (CID 134423680) is 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole is Cc1cnn(Cc2ccc(CN=O)cc2)c1.
What is the InChIKey of 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole?
The InChIKey is QTZUVAUADNGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-10-6-13-15(8-10)9-12-4-2-11(3-5-12)7-14-16/h2-6,8H,7,9H2,1H3.
What are the key properties of 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole?
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole has a molecular weight of 215.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 134423680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).