1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole

C10H17N3O — CID 54377020

IUPAC1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole
SMILESCC(C(N=O)C(C)(C)C)n1cccn1
InChIInChI=1S/C10H17N3O/c1-8(13-7-5-6-11-13)9(12-14)10(2,3)4/h5-9H,1-4H3
InChIKeyUXFSWTNENNSVSE-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.63
Rot. Bonds3

About 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole

1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole (PubChem CID 54377020) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole
PubChem CID54377020
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole
SMILESCC(C(N=O)C(C)(C)C)n1cccn1
InChIInChI=1S/C10H17N3O/c1-8(13-7-5-6-11-13)9(12-14)10(2,3)4/h5-9H,1-4H3
InChIKeyUXFSWTNENNSVSE-UHFFFAOYSA-N
XLogP2.63
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-3,3-dimethylbutan-2-yl]pyrazole
CID 170411970
1-(3-methylbutan-2-yl)pyrazole
CID 59320460
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CID 54424052
2-methylpropane;1-propan-2-ylpyrazole
CID 159283951
2-methyl-1-pyrazol-1-ylpropan-1-ol
CID 70596734
ethane;2-methylpropane;1-propan-2-ylpyrazole
CID 158347512
4,4-dimethyl-3-pyrazol-1-ylpentanoic acid
CID 166660871
(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95613999
1-[di(pyrazol-1-yl)methyl]pyrazole
CID 5243808
(2S)-2-pyrazol-1-ylpropanamide
CID 42576360
2-pyrazol-1-ylpropanamide
CID 25248322
2-methyl-N-(2-methylpropyl)-3-pyrazol-1-ylbutan-1-amine
CID 81020301

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole?
The IUPAC name of 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole (CID 54377020) is 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole.
What is the SMILES notation for 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole?
The canonical SMILES for 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole is CC(C(N=O)C(C)(C)C)n1cccn1.
What is the InChIKey of 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole?
The InChIKey is UXFSWTNENNSVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(13-7-5-6-11-13)9(12-14)10(2,3)4/h5-9H,1-4H3.
What are the key properties of 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole?
1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole has a molecular weight of 195.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-3-nitrosopentan-2-yl)pyrazole is sourced from PubChem (CID 54377020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).