1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide

C12H15N5O — CID 45255887

IUPAC1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2ccnnc2)cn1
InChIInChI=1S/C12H15N5O/c1-9(2)7-17-8-10(5-15-17)12(18)16-11-3-4-13-14-6-11/h3-6,8-9H,7H2,1-2H3,(H,13,16,18)
InChIKeyDRWWZUJDLHDPJH-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide

1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 45255887) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID45255887
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2ccnnc2)cn1
InChIInChI=1S/C12H15N5O/c1-9(2)7-17-8-10(5-15-17)12(18)16-11-3-4-13-14-6-11/h3-6,8-9H,7H2,1-2H3,(H,13,16,18)
InChIKeyDRWWZUJDLHDPJH-UHFFFAOYSA-N
XLogP1.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 86817328
N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75476323
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 45256977
2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 122192591
N-(6-hydroxy-1H-indazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 167777397
1-(2-aminopropyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carboxamide
CID 167825875
N-[1-(2-methylpropyl)pyrazol-4-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 100655816
N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75501457
trans-(1R,2R)-2-[1-(2-methylpropyl)pyrazole-4-carbonyl]cyclopropane-1-carboxylic acid
CID 99993401
3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471152
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 45255887) is 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide is CC(C)Cn1cc(C(=O)Nc2ccnnc2)cn1.
What is the InChIKey of 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is DRWWZUJDLHDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9(2)7-17-8-10(5-15-17)12(18)16-11-3-4-13-14-6-11/h3-6,8-9H,7H2,1-2H3,(H,13,16,18).
What are the key properties of 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide?
1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 45255887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).