3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C17H16N4O2S — CID 171099209

IUPAC3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCNC(=O)c1cc2c(NC(=O)C3CC3)nn(-c3ccccc3)c2s1
InChIInChI=1S/C17H16N4O2S/c1-18-16(23)13-9-12-14(19-15(22)10-7-8-10)20-21(17(12)24-13)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyXQKUOQVVJMEONP-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.80
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 171099209) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID171099209
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCNC(=O)c1cc2c(NC(=O)C3CC3)nn(-c3ccccc3)c2s1
InChIInChI=1S/C17H16N4O2S/c1-18-16(23)13-9-12-14(19-15(22)10-7-8-10)20-21(17(12)24-13)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyXQKUOQVVJMEONP-UHFFFAOYSA-N
XLogP2.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
N,1-dimethyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1484439
3-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819577
3-methyl-1-phenyl-N-(4-piperidin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819584
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
3-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2316216

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 171099209) is 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is CNC(=O)c1cc2c(NC(=O)C3CC3)nn(-c3ccccc3)c2s1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XQKUOQVVJMEONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-18-16(23)13-9-12-14(19-15(22)10-7-8-10)20-21(17(12)24-13)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 171099209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).