1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

C17H18N4OS — CID 91630267

IUPAC1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C17H18N4OS/c1-11-15(12(2)21(3)20-11)17(22)19-9-13-5-4-7-18-16(13)14-6-8-23-10-14/h4-8,10H,9H2,1-3H3,(H,19,22)
InChIKeyBMLWQZUANLXQPR-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.09
Rot. Bonds4

About 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 91630267) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID91630267
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C17H18N4OS/c1-11-15(12(2)21(3)20-11)17(22)19-9-13-5-4-7-18-16(13)14-6-8-23-10-14/h4-8,10H,9H2,1-3H3,(H,19,22)
InChIKeyBMLWQZUANLXQPR-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 91630201
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177697
1-ethyl-7-methyl-4-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 121177750

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 91630267) is 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is BMLWQZUANLXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-15(12(2)21(3)20-11)17(22)19-9-13-5-4-7-18-16(13)14-6-8-23-10-14/h4-8,10H,9H2,1-3H3,(H,19,22).
What are the key properties of 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91630267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).