N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

C16H26N4OS — CID 119607661

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)c1nn(C)c2sc(C(=O)NC(C)(CN)C(C)C)cc12
InChIInChI=1S/C16H26N4OS/c1-9(2)13-11-7-12(22-15(11)20(6)19-13)14(21)18-16(5,8-17)10(3)4/h7,9-10H,8,17H2,1-6H3,(H,18,21)
InChIKeyROXYMPGPKGTLPV-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.86
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119607661) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119607661
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)c1nn(C)c2sc(C(=O)NC(C)(CN)C(C)C)cc12
InChIInChI=1S/C16H26N4OS/c1-9(2)13-11-7-12(22-15(11)20(6)19-13)14(21)18-16(5,8-17)10(3)4/h7,9-10H,8,17H2,1-6H3,(H,18,21)
InChIKeyROXYMPGPKGTLPV-UHFFFAOYSA-N
XLogP2.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119628799
N-[1-(aminomethyl)cyclopentyl]-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 119567082
7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid
CID 119227274
(2R)-2-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119367111
1-methyl-N-[(2S)-oxan-2-yl]oxy-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 96560834
N-(6-amino-3-pyridinyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119515945
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
CID 79792816
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 81486406
N-[1-[3-(aminomethyl)pentan-3-ylamino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119572119
cis-(1S,3R)-3-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675311
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119606869
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119576045

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 119607661) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is CC(C)c1nn(C)c2sc(C(=O)NC(C)(CN)C(C)C)cc12.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ROXYMPGPKGTLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-9(2)13-11-7-12(22-15(11)20(6)19-13)14(21)18-16(5,8-17)10(3)4/h7,9-10H,8,17H2,1-6H3,(H,18,21).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119607661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).