N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine

C8H13N3O — CID 161335621

IUPACN-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCC(C)c1cn(C)nc1C=NO
InChIInChI=1S/C8H13N3O/c1-6(2)7-5-11(3)10-8(7)4-9-12/h4-6,12H,1-3H3
InChIKeyVLZNDWXNWUTBBH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.35
Rot. Bonds2

About N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine

N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine (PubChem CID 161335621) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine
PubChem CID161335621
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCC(C)c1cn(C)nc1C=NO
InChIInChI=1S/C8H13N3O/c1-6(2)7-5-11(3)10-8(7)4-9-12/h4-6,12H,1-3H3
InChIKeyVLZNDWXNWUTBBH-UHFFFAOYSA-N
XLogP1.35
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
(NE)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 143514937
(NZ)-N-[(1-methylpyrazol-4-yl)methylidene]hydroxylamine
CID 6161558
ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 156863648
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
[1-fluoro-1-(1-methyl-4-propan-2-ylpyrazol-3-yl)ethyl]phosphane
CID 134286515
1-methyl-4-propan-2-ylpyrazole-3-sulfonamide
CID 134247755
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 148767484
3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105422777
4-amino-3-(3-tert-butyl-1-methylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83094621
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine (CID 161335621) is N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine is CC(C)c1cn(C)nc1C=NO.
What is the InChIKey of N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine?
The InChIKey is VLZNDWXNWUTBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)7-5-11(3)10-8(7)4-9-12/h4-6,12H,1-3H3.
What are the key properties of N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine?
N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-propan-2-ylpyrazol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 161335621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).