6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide

C8H6ClN5O — CID 60859843

IUPAC6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Cl)nn1
InChIInChI=1S/C8H6ClN5O/c9-7-2-1-6(13-14-7)8(15)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,15)
InChIKeyDEORWESJUCMUBA-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.11
Rot. Bonds2

About 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide

6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide (PubChem CID 60859843) has the molecular formula C8H6ClN5O and a molecular weight of 223.62 g/mol. Its IUPAC name is 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
PubChem CID60859843
Molecular FormulaC8H6ClN5O
Molecular Weight223.62 g/mol
Exact Mass223.03
IUPAC Name6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(Cl)nn1
InChIInChI=1S/C8H6ClN5O/c9-7-2-1-6(13-14-7)8(15)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,15)
InChIKeyDEORWESJUCMUBA-UHFFFAOYSA-N
XLogP1.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
CID 62154796
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
methyl 4-[(6-chloropyridazine-3-carbonyl)amino]benzoate
CID 61041834
5-N-(1H-pyrazol-4-yl)pyridine-2,5-dicarboxamide
CID 86858757
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
6-chloropyridazine-3-carbohydrazide
CID 10080848
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide (CID 60859843) is 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide is O=C(Nc1cn[nH]c1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide?
The InChIKey is DEORWESJUCMUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O/c9-7-2-1-6(13-14-7)8(15)12-5-3-10-11-4-5/h1-4H,(H,10,11)(H,12,15).
What are the key properties of 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide?
6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 60859843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).