1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide

C13H15N5O2 — CID 105352263

IUPAC1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESNNC(=O)Cc1ccc(Cn2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C13H15N5O2/c14-13(20)11-5-6-18(17-11)8-10-3-1-9(2-4-10)7-12(19)16-15/h1-6H,7-8,15H2,(H2,14,20)(H,16,19)
InChIKeyHIEJEBYSDQJZQM-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.44
Rot. Bonds5

About 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide

1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 105352263) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID105352263
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESNNC(=O)Cc1ccc(Cn2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C13H15N5O2/c14-13(20)11-5-6-18(17-11)8-10-3-1-9(2-4-10)7-12(19)16-15/h1-6H,7-8,15H2,(H2,14,20)(H,16,19)
InChIKeyHIEJEBYSDQJZQM-UHFFFAOYSA-N
XLogP-0.44
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 105352183
1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide
CID 64777594
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781499
1-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015259
2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide
CID 64779947
1-[(5-acetylthiophen-3-yl)methyl]pyrazole-3-carboxamide
CID 70864567
4-[(3-nitropyrazol-1-yl)methyl]benzohydrazide
CID 843247
1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
CID 71259684
5-[(3-carbamoylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 64779752
2-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351724
2-[4-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352430

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 105352263) is 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide is NNC(=O)Cc1ccc(Cn2ccc(C(N)=O)n2)cc1.
What is the InChIKey of 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is HIEJEBYSDQJZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-13(20)11-5-6-18(17-11)8-10-3-1-9(2-4-10)7-12(19)16-15/h1-6H,7-8,15H2,(H2,14,20)(H,16,19).
What are the key properties of 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide?
1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 105352263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).