1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C20H19N5O2S — CID 99813723

IUPAC1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)c1nn(C)c2sc(C(=O)Nc3cccc(Oc4cccnn4)c3)cc12
InChIInChI=1S/C20H19N5O2S/c1-12(2)18-15-11-16(28-20(15)25(3)24-18)19(26)22-13-6-4-7-14(10-13)27-17-8-5-9-21-23-17/h4-12H,1-3H3,(H,22,26)
InChIKeyPQNURXKVLRASIX-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.59
Rot. Bonds5

About 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide

1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 99813723) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID99813723
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)c1nn(C)c2sc(C(=O)Nc3cccc(Oc4cccnn4)c3)cc12
InChIInChI=1S/C20H19N5O2S/c1-12(2)18-15-11-16(28-20(15)25(3)24-18)19(26)22-13-6-4-7-14(10-13)27-17-8-5-9-21-23-17/h4-12H,1-3H3,(H,22,26)
InChIKeyPQNURXKVLRASIX-UHFFFAOYSA-N
XLogP4.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119515945
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
CID 119894522
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
CID 119894521
2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71975946
3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 103294259
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
trans-(1R,2R)-2-phenyl-N-(3-pyridazin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 166194550
(2R)-2-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119367111
N-(3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2005840
N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119567082
4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
CID 119894528
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119607661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 99813723) is 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide is CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(Oc4cccnn4)c3)cc12.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PQNURXKVLRASIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-12(2)18-15-11-16(28-20(15)25(3)24-18)19(26)22-13-6-4-7-14(10-13)27-17-8-5-9-21-23-17/h4-12H,1-3H3,(H,22,26).
What are the key properties of 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 99813723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).