1-(2-methyl-1-nitrosopropyl)pyrazole

C7H11N3O — CID 54424052

IUPAC1-(2-methyl-1-nitrosopropyl)pyrazole
SMILESCC(C)C(N=O)n1cccn1
InChIInChI=1S/C7H11N3O/c1-6(2)7(9-11)10-5-3-4-8-10/h3-7H,1-2H3
InChIKeyWCUZGKMZXNHFLG-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-methyl-1-nitrosopropyl)pyrazole

1-(2-methyl-1-nitrosopropyl)pyrazole (PubChem CID 54424052) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(2-methyl-1-nitrosopropyl)pyrazole.

Molecular Properties

Compound Name1-(2-methyl-1-nitrosopropyl)pyrazole
PubChem CID54424052
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(2-methyl-1-nitrosopropyl)pyrazole
SMILESCC(C)C(N=O)n1cccn1
InChIInChI=1S/C7H11N3O/c1-6(2)7(9-11)10-5-3-4-8-10/h3-7H,1-2H3
InChIKeyWCUZGKMZXNHFLG-UHFFFAOYSA-N
XLogP1.80
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole
CID 54377020
1-(3-methylbutan-2-yl)pyrazole
CID 59320460
2-methylpropane;1-propan-2-ylpyrazole
CID 159283951
1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole
CID 170411970
2-methyl-1-pyrazol-1-ylpropan-1-ol
CID 70596734
ethane;2-methylpropane;1-propan-2-ylpyrazole
CID 158347512
1-[di(pyrazol-1-yl)methyl]pyrazole
CID 5243808
(2S)-2-pyrazol-1-ylpropanamide
CID 42576360
2-pyrazol-1-ylpropanamide
CID 25248322
1-butan-2-ylpyrazole;ethane
CID 170732307
1-[di(pyrazol-1-yl)methyl]pyrazole;oxotitanium;dihydrochloride
CID 10980975
4-pyrazol-1-ylpentan-2-one
CID 64696906

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-nitrosopropyl)pyrazole?
The IUPAC name of 1-(2-methyl-1-nitrosopropyl)pyrazole (CID 54424052) is 1-(2-methyl-1-nitrosopropyl)pyrazole.
What is the SMILES notation for 1-(2-methyl-1-nitrosopropyl)pyrazole?
The canonical SMILES for 1-(2-methyl-1-nitrosopropyl)pyrazole is CC(C)C(N=O)n1cccn1.
What is the InChIKey of 1-(2-methyl-1-nitrosopropyl)pyrazole?
The InChIKey is WCUZGKMZXNHFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(2)7(9-11)10-5-3-4-8-10/h3-7H,1-2H3.
What are the key properties of 1-(2-methyl-1-nitrosopropyl)pyrazole?
1-(2-methyl-1-nitrosopropyl)pyrazole has a molecular weight of 153.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-nitrosopropyl)pyrazole is sourced from PubChem (CID 54424052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).