N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide

C20H17N5O2 — CID 167833342

IUPACN-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(C)o4)[nH]n3)cc2)nn1
InChIInChI=1S/C20H17N5O2/c1-12-3-9-16(23-22-12)14-5-7-15(8-6-14)20(26)21-19-11-17(24-25-19)18-10-4-13(2)27-18/h3-11H,1-2H3,(H2,21,24,25,26)
InChIKeyRQSCZUMTPFYVSL-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.00
Rot. Bonds4

About N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide

N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide (PubChem CID 167833342) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide
PubChem CID167833342
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(C)o4)[nH]n3)cc2)nn1
InChIInChI=1S/C20H17N5O2/c1-12-3-9-16(23-22-12)14-5-7-15(8-6-14)20(26)21-19-11-17(24-25-19)18-10-4-13(2)27-18/h3-11H,1-2H3,(H2,21,24,25,26)
InChIKeyRQSCZUMTPFYVSL-UHFFFAOYSA-N
XLogP4.00
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 122151190
4-(6-methylpyridazin-3-yl)benzoic acid
CID 53426337
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
CID 167942897
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716976
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6068774
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 51057015
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide (CID 167833342) is N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(C)o4)[nH]n3)cc2)nn1.
What is the InChIKey of N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is RQSCZUMTPFYVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-3-9-16(23-22-12)14-5-7-15(8-6-14)20(26)21-19-11-17(24-25-19)18-10-4-13(2)27-18/h3-11H,1-2H3,(H2,21,24,25,26).
What are the key properties of N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide?
N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-4-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 167833342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).