(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone

C17H14N4OS — CID 765480

IUPAC(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone
SMILESCc1ccn(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1
InChIInChI=1S/C17H14N4OS/c1-11-8-9-20(18-11)16(22)15-10-14-12(2)19-21(17(14)23-15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyQGUDJZHCGYSSSX-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.59
Rot. Bonds2

About (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone

(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone (PubChem CID 765480) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone
PubChem CID765480
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone
SMILESCc1ccn(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1
InChIInChI=1S/C17H14N4OS/c1-11-8-9-20(18-11)16(22)15-10-14-12(2)19-21(17(14)23-15)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyQGUDJZHCGYSSSX-UHFFFAOYSA-N
XLogP3.59
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 651459
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
3-Methyl-5-(4-morpholinylcarbonyl)-1-phenyl-1H-thieno[2,3-c]pyrazole
CID 617776
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
3-methyl-N-(3-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 755153
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 944105
N,3-dimethyl-N,1-diphenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 747859
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxamide
CID 1142445
(3-Methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)-pyrazol-1-ylmethanone
CID 678297
N-cyclopropyl-3-methyl-1-(2-methylphenyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 941623
Phenyl-[3-(2-phenyl-1,3-thiazol-5-yl)pyrazol-1-yl]methanone
CID 1476749

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone?
The IUPAC name of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone (CID 765480) is (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone?
The canonical SMILES for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone is Cc1ccn(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1.
What is the InChIKey of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone?
The InChIKey is QGUDJZHCGYSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-8-9-20(18-11)16(22)15-10-14-12(2)19-21(17(14)23-15)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone?
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone has a molecular weight of 322.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-(3-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 765480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).