1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide

C20H23N5O2 — CID 31645263

IUPAC1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1=O
InChIInChI=1S/C20H23N5O2/c1-3-4-12-24-19(26)11-10-18(22-24)20(27)23(2)14-16-13-21-25(15-16)17-8-6-5-7-9-17/h5-11,13,15H,3-4,12,14H2,1-2H3
InChIKeyHVJBRONVSPOHSG-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.50
Rot. Bonds7

About 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide

1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide (PubChem CID 31645263) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
PubChem CID31645263
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1=O
InChIInChI=1S/C20H23N5O2/c1-3-4-12-24-19(26)11-10-18(22-24)20(27)23(2)14-16-13-21-25(15-16)17-8-6-5-7-9-17/h5-11,13,15H,3-4,12,14H2,1-2H3
InChIKeyHVJBRONVSPOHSG-UHFFFAOYSA-N
XLogP2.50
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-[(3-chlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 78770523
3-hexyl-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 30694058
2-butylsulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 134037922
1-(2-chlorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 49320521
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
1-butyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 55328835
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
1-butyl-N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridazine-3-carboxamide
CID 64511849
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide (CID 31645263) is 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)ccc1=O.
What is the InChIKey of 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is HVJBRONVSPOHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-4-12-24-19(26)11-10-18(22-24)20(27)23(2)14-16-13-21-25(15-16)17-8-6-5-7-9-17/h5-11,13,15H,3-4,12,14H2,1-2H3.
What are the key properties of 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide?
1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 31645263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).