3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide

C12H14ClN5O — CID 136739605

IUPAC3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide
SMILESCC(C)c1ccn(-c2nccc(/C(N)=N/O)c2Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-7(2)9-4-6-18(16-9)12-10(13)8(3-5-15-12)11(14)17-19/h3-7,19H,1-2H3,(H2,14,17)
InChIKeyVQMYZUQCUAZRAN-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.14
Rot. Bonds3

About 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide (PubChem CID 136739605) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide
PubChem CID136739605
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide
SMILESCC(C)c1ccn(-c2nccc(/C(N)=N/O)c2Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-7(2)9-4-6-18(16-9)12-10(13)8(3-5-15-12)11(14)17-19/h3-7,19H,1-2H3,(H2,14,17)
InChIKeyVQMYZUQCUAZRAN-UHFFFAOYSA-N
XLogP2.14
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)benzenecarboximidamide
CID 76984837
N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide
CID 136990738
3-(3-propan-2-ylpyrazol-1-yl)pyrazine-2-carboximidamide
CID 55104937
3-(3-propan-2-ylpyrazol-1-yl)pyridazine-4-carboxylic acid
CID 80517428
3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136739363
3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 136739315
N'-hydroxy-2,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboximidamide
CID 81054872
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 137006828
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447
3-chloro-2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136905770
3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739406
3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
CID 137006825

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide (CID 136739605) is 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide is CC(C)c1ccn(-c2nccc(/C(N)=N/O)c2Cl)n1.
What is the InChIKey of 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide?
The InChIKey is VQMYZUQCUAZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7(2)9-4-6-18(16-9)12-10(13)8(3-5-15-12)11(14)17-19/h3-7,19H,1-2H3,(H2,14,17).
What are the key properties of 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide has a molecular weight of 279.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 136739605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).