(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide

C13H16N6O — CID 125013785

IUPAC(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCN(c3cccnn3)C2)n[nH]1
InChIInChI=1S/C13H16N6O/c1-9-7-11(17-16-9)15-13(20)10-4-6-19(8-10)12-3-2-5-14-18-12/h2-3,5,7,10H,4,6,8H2,1H3,(H2,15,16,17,20)/t10-/m0/s1
InChIKeyWHNSEFYMMGGWJU-JTQLQIEISA-N
MW272.31 g/mol
LogP0.97
Rot. Bonds3

About (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide

(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide (PubChem CID 125013785) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
PubChem CID125013785
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCN(c3cccnn3)C2)n[nH]1
InChIInChI=1S/C13H16N6O/c1-9-7-11(17-16-9)15-13(20)10-4-6-19(8-10)12-3-2-5-14-18-12/h2-3,5,7,10H,4,6,8H2,1H3,(H2,15,16,17,20)/t10-/m0/s1
InChIKeyWHNSEFYMMGGWJU-JTQLQIEISA-N
XLogP0.97
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118676
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
1-pyridazin-3-yl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 110269133
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
N-[4-[1-(2-methylbenzoyl)azetidin-3-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621522
tert-butyl 4-[4-[[(3S)-1-pyridazin-3-ylpyrrolidine-3-carbonyl]amino]phenoxy]piperidine-1-carboxylate
CID 86702075
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide
CID 11609685
N-[4-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]phenyl]-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 140621498

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide (CID 125013785) is (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)[C@H]2CCN(c3cccnn3)C2)n[nH]1.
What is the InChIKey of (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is WHNSEFYMMGGWJU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-7-11(17-16-9)15-13(20)10-4-6-19(8-10)12-3-2-5-14-18-12/h2-3,5,7,10H,4,6,8H2,1H3,(H2,15,16,17,20)/t10-/m0/s1.
What are the key properties of (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide?
(3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methyl-1H-pyrazol-3-yl)-1-pyridazin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 125013785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).