(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide

C8H14N4O — CID 42574253

IUPAC(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
SMILESCc1cnn(C[C@@H](C)/C(N)=N/O)c1
InChIInChI=1S/C8H14N4O/c1-6-3-10-12(4-6)5-7(2)8(9)11-13/h3-4,7,13H,5H2,1-2H3,(H2,9,11)/t7-/m1/s1
InChIKeyCCNIVSZRAZZPIO-SSDOTTSWSA-N
MW182.23 g/mol
LogP0.57
Rot. Bonds3

About (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide

(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide (PubChem CID 42574253) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
PubChem CID42574253
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
SMILESCc1cnn(C[C@@H](C)/C(N)=N/O)c1
InChIInChI=1S/C8H14N4O/c1-6-3-10-12(4-6)5-7(2)8(9)11-13/h3-4,7,13H,5H2,1-2H3,(H2,9,11)/t7-/m1/s1
InChIKeyCCNIVSZRAZZPIO-SSDOTTSWSA-N
XLogP0.57
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide
CID 76948882
2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide
CID 60873678
(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide
CID 95299786
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
ethene;4-methyl-1-(2-methylbutyl)pyrazole
CID 143972453
(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 118260384
3-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76941353
(4-methylpyrazol-1-yl)methanol
CID 7172181
ethane;1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 145015043
1-(2-ethylpentyl)-4-methylpyrazole
CID 171540355
2-(3-methylbutyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111806225
2-[(4-bromopyrazol-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370280

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
The IUPAC name of (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide (CID 42574253) is (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide.
What is the SMILES notation for (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
The canonical SMILES for (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide is Cc1cnn(C[C@@H](C)/C(N)=N/O)c1.
What is the InChIKey of (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
The InChIKey is CCNIVSZRAZZPIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-3-10-12(4-6)5-7(2)8(9)11-13/h3-4,7,13H,5H2,1-2H3,(H2,9,11)/t7-/m1/s1.
What are the key properties of (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide?
(2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide has a molecular weight of 182.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-2-methyl-3-(4-methylpyrazol-1-yl)propanimidamide is sourced from PubChem (CID 42574253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).