1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C18H14F3N5OS — CID 29097500

IUPAC1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)cc2)n1
InChIInChI=1S/C18H14F3N5OS/c1-10-7-8-26(23-10)12-5-3-11(4-6-12)22-16(27)14-9-13-15(18(19,20)21)24-25(2)17(13)28-14/h3-9H,1-2H3,(H,22,27)
InChIKeySGJZNRJTHXFGHT-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.40
Rot. Bonds3

About 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 29097500) has the molecular formula C18H14F3N5OS and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID29097500
Molecular FormulaC18H14F3N5OS
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC Name1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccn(-c2ccc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)cc2)n1
InChIInChI=1S/C18H14F3N5OS/c1-10-7-8-26(23-10)12-5-3-11(4-6-12)22-16(27)14-9-13-15(18(19,20)21)24-25(2)17(13)28-14/h3-9H,1-2H3,(H,22,27)
InChIKeySGJZNRJTHXFGHT-UHFFFAOYSA-N
XLogP4.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 29097500) is 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccn(-c2ccc(NC(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)cc2)n1.
What is the InChIKey of 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SGJZNRJTHXFGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5OS/c1-10-7-8-26(23-10)12-5-3-11(4-6-12)22-16(27)14-9-13-15(18(19,20)21)24-25(2)17(13)28-14/h3-9H,1-2H3,(H,22,27).
What are the key properties of 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(3-methylpyrazol-1-yl)phenyl]-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 29097500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).