N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine

C10H17N3O — CID 2804789

IUPACN-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(C(C)(C)C)c(C)c1C=NO
InChIInChI=1S/C10H17N3O/c1-7-9(6-11-14)8(2)13(12-7)10(3,4)5/h6,14H,1-5H3
InChIKeyMGXXZRRADAQHMW-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.06
Rot. Bonds1

About N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine

N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 2804789) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID2804789
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCc1nn(C(C)(C)C)c(C)c1C=NO
InChIInChI=1S/C10H17N3O/c1-7-9(6-11-14)8(2)13(12-7)10(3,4)5/h6,14H,1-5H3
InChIKeyMGXXZRRADAQHMW-UHFFFAOYSA-N
XLogP2.06
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.06
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-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride hydrate
CID 50944252
[(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methyl]-amine hydrochloride
CID 54758992
1-(tert-butyl)-3,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 2804894
(NZ)-N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
CID 5713844
(NE)-N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
CID 9583466
Ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
CID 143431708
1-Tert-butyl-3-methyl-4,5-bis(trifluoromethyl)pyrazole
CID 146377643

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine (CID 2804789) is N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine is Cc1nn(C(C)(C)C)c(C)c1C=NO.
What is the InChIKey of N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is MGXXZRRADAQHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-9(6-11-14)8(2)13(12-7)10(3,4)5/h6,14H,1-5H3.
What are the key properties of N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine?
N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 195.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 2804789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).