4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide

C10H8ClN3O3 — CID 75413422

IUPAC4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)c[nH]1)c1ccoc1
InChIInChI=1S/C10H8ClN3O3/c11-7-3-8(12-4-7)10(16)14-13-9(15)6-1-2-17-5-6/h1-5,12H,(H,13,15)(H,14,16)
InChIKeyYJIDPRMYZYYCQJ-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.34
Rot. Bonds2

About 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide

4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 75413422) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide
PubChem CID75413422
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc(Cl)c[nH]1)c1ccoc1
InChIInChI=1S/C10H8ClN3O3/c11-7-3-8(12-4-7)10(16)14-13-9(15)6-1-2-17-5-6/h1-5,12H,(H,13,15)(H,14,16)
InChIKeyYJIDPRMYZYYCQJ-UHFFFAOYSA-N
XLogP1.34
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31726060
N-chlorofuran-3-carboxamide
CID 144607311
5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
N'-[2-(1-adamantyl)acetyl]-4-chloro-1H-pyrrole-2-carbohydrazide
CID 35766957
3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741856
2-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 115909965
4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide
CID 102989332
4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787118
4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 115598815
N-carbamoylfuran-3-carboxamide
CID 54444166
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 130921065
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 28741778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide (CID 75413422) is 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1cc(Cl)c[nH]1)c1ccoc1.
What is the InChIKey of 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is YJIDPRMYZYYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c11-7-3-8(12-4-7)10(16)14-13-9(15)6-1-2-17-5-6/h1-5,12H,(H,13,15)(H,14,16).
What are the key properties of 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide?
4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 253.65 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 75413422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).