5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

C9H11N5O2 — CID 63579229

IUPAC5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCc1cnn(Cc2cc(C(=O)NN)no2)c1
InChIInChI=1S/C9H11N5O2/c1-6-3-11-14(4-6)5-7-2-8(13-16-7)9(15)12-10/h2-4H,5,10H2,1H3,(H,12,15)
InChIKeyTYROVDPZGZZPQO-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.17
Rot. Bonds3

About 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide

5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63579229) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63579229
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
SMILESCc1cnn(Cc2cc(C(=O)NN)no2)c1
InChIInChI=1S/C9H11N5O2/c1-6-3-11-14(4-6)5-7-2-8(13-16-7)9(15)12-10/h2-4H,5,10H2,1H3,(H,12,15)
InChIKeyTYROVDPZGZZPQO-UHFFFAOYSA-N
XLogP-0.17
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxybutyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 109476379
2-methyl-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120518510
4-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524527
5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 126768791
5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 167957277
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 75469782
4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120533690
2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid
CID 120517205
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 146065843
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449283
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide (CID 63579229) is 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is Cc1cnn(Cc2cc(C(=O)NN)no2)c1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is TYROVDPZGZZPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6-3-11-14(4-6)5-7-2-8(13-16-7)9(15)12-10/h2-4H,5,10H2,1H3,(H,12,15).
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide?
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 221.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63579229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).