1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide

C17H21N5O2S — CID 131689376

IUPAC1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc2c(CNC(=O)c3cc[nH]c3)nn(C)c2s1
InChIInChI=1S/C17H21N5O2S/c1-10(2)7-19-16(24)14-6-12-13(21-22(3)17(12)25-14)9-20-15(23)11-4-5-18-8-11/h4-6,8,10,18H,7,9H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyYSHRRVOZMRTOPZ-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.28
Rot. Bonds6

About 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide

1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 131689376) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID131689376
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc2c(CNC(=O)c3cc[nH]c3)nn(C)c2s1
InChIInChI=1S/C17H21N5O2S/c1-10(2)7-19-16(24)14-6-12-13(21-22(3)17(12)25-14)9-20-15(23)11-4-5-18-8-11/h4-6,8,10,18H,7,9H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyYSHRRVOZMRTOPZ-UHFFFAOYSA-N
XLogP2.28
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120829599
N-(2-amino-2-methylpropyl)-1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119628799
N-cyclobutyl-3-[(3-fluoropropanoylamino)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
CID 131689572
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
methyl N-[4-[[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 51123423
7-[(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptanoic acid
CID 119227274
N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
CID 131689567
N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110691119
1-methyl-3-(propan-2-ylsulfanylmethyl)thieno[2,3-c]pyrazole-5-carboxylic acid
CID 82184012
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979
1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 51313394
3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-cyclobutyl-1-methylthieno[2,3-c]pyrazole-5-carboxamide
CID 131689279

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide (CID 131689376) is 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide is CC(C)CNC(=O)c1cc2c(CNC(=O)c3cc[nH]c3)nn(C)c2s1.
What is the InChIKey of 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is YSHRRVOZMRTOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-10(2)7-19-16(24)14-6-12-13(21-22(3)17(12)25-14)9-20-15(23)11-4-5-18-8-11/h4-6,8,10,18H,7,9H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide?
1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpropyl)-3-[(1H-pyrrole-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 131689376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).