N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine

C8H13N3O — CID 940393

IUPACN-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCCn1ncc(C=NO)c1C
InChIInChI=1S/C8H13N3O/c1-3-4-11-7(2)8(5-9-11)6-10-12/h5-6,12H,3-4H2,1-2H3
InChIKeyYEZAFKAJKMZCIF-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.41
Rot. Bonds3

About N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine

N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 940393) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID940393
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCCn1ncc(C=NO)c1C
InChIInChI=1S/C8H13N3O/c1-3-4-11-7(2)8(5-9-11)6-10-12/h5-6,12H,3-4H2,1-2H3
InChIKeyYEZAFKAJKMZCIF-UHFFFAOYSA-N
XLogP1.41
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.41
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

3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 169464750
S-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl] ethanethioate
CID 169458551
1-hexyl-5-methylpyrazole-4-carbaldehyde
CID 139674807
N-[[4-(cyclopropylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]methylidene]hydroxylamine
CID 86636867
2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid
CID 112713062
5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 112712313
(E)-1-(1,5-dimethylpyrazol-4-yl)-N-ethoxymethanimine
CID 126996007
3-(4-formyl-5-methylpyrazol-1-yl)propanenitrile
CID 60866319
(NE)-N-[(1-butyl-3,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
CID 83290541
N-[2-(dimethylamino)ethyl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 72881553
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66096186

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine (CID 940393) is N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine is CCCn1ncc(C=NO)c1C.
What is the InChIKey of N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is YEZAFKAJKMZCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-11-7(2)8(5-9-11)6-10-12/h5-6,12H,3-4H2,1-2H3.
What are the key properties of N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine?
N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 940393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).