Skip to content

1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide

C15H23N5OS — CID 50950064

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1cnc(SC)n1C
InChIInChI=1S/C15H23N5OS/c1-6-20-13(7-12(18-20)10(2)3)14(21)16-8-11-9-17-15(22-5)19(11)4/h7,9-10H,6,8H2,1-5H3,(H,16,21)
InChIKeyZQNFAZKRRQKIHU-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.41
Rot. Bonds6

About 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 50950064) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID50950064
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1cnc(SC)n1C
InChIInChI=1S/C15H23N5OS/c1-6-20-13(7-12(18-20)10(2)3)14(21)16-8-11-9-17-15(22-5)19(11)4/h7,9-10H,6,8H2,1-5H3,(H,16,21)
InChIKeyZQNFAZKRRQKIHU-UHFFFAOYSA-N
XLogP2.41
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 50950064) is 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCc1cnc(SC)n1C.
What is the InChIKey of 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is ZQNFAZKRRQKIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-6-20-13(7-12(18-20)10(2)3)14(21)16-8-11-9-17-15(22-5)19(11)4/h7,9-10H,6,8H2,1-5H3,(H,16,21).
What are the key properties of 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 50950064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.