3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide

C9H9ClN4OS — CID 63641106

IUPAC3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1cc(Cl)cn1
InChIInChI=1S/C9H9ClN4OS/c10-7-3-12-14(5-7)4-6-1-2-16-8(6)9(15)13-11/h1-3,5H,4,11H2,(H,13,15)
InChIKeyGNXZMYGKMFHFIQ-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.25
Rot. Bonds3

About 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide

3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 63641106) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID63641106
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1cc(Cl)cn1
InChIInChI=1S/C9H9ClN4OS/c10-7-3-12-14(5-7)4-6-1-2-16-8(6)9(15)13-11/h1-3,5H,4,11H2,(H,13,15)
InChIKeyGNXZMYGKMFHFIQ-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.25
H-Bond Donors ≤ 52
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

3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63640244
2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
3-[(3,4-dihydroxypyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 106674279
3-[(4-ethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641063
3-[(2,6-dioxopiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55246482
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63639574
3-[(2,5-dichlorophenoxy)methyl]thiophene-2-carbohydrazide
CID 63640012
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336319
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63579425
3-[2-[(4-chloropyrazol-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 76918154
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide (CID 63641106) is 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide is NNC(=O)c1sccc1Cn1cc(Cl)cn1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is GNXZMYGKMFHFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c10-7-3-12-14(5-7)4-6-1-2-16-8(6)9(15)13-11/h1-3,5H,4,11H2,(H,13,15).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide?
3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 256.72 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63641106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).