5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C12H14ClN5O — CID 55051270

IUPAC5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(Cl)ccc2NN)cn1
InChIInChI=1S/C12H14ClN5O/c1-18-7-8(6-16-18)5-15-12(19)10-4-9(13)2-3-11(10)17-14/h2-4,6-7,17H,5,14H2,1H3,(H,15,19)
InChIKeyNXFAEJZSFXOQHS-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.29
Rot. Bonds4

About 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 55051270) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID55051270
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(Cl)ccc2NN)cn1
InChIInChI=1S/C12H14ClN5O/c1-18-7-8(6-16-18)5-15-12(19)10-4-9(13)2-3-11(10)17-14/h2-4,6-7,17H,5,14H2,1H3,(H,15,19)
InChIKeyNXFAEJZSFXOQHS-UHFFFAOYSA-N
XLogP1.29
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorobenzoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292438
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107027466
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
CID 62248075
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56793753
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-amino-4,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61349240
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 55051270) is 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2cc(Cl)ccc2NN)cn1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is NXFAEJZSFXOQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-18-7-8(6-16-18)5-15-12(19)10-4-9(13)2-3-11(10)17-14/h2-4,6-7,17H,5,14H2,1H3,(H,15,19).
What are the key properties of 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 279.73 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 55051270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).