5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide

C23H21N5OS — CID 39997325

IUPAC5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1
InChIInChI=1S/C23H21N5OS/c1-27-14-13-24-23(27)30-19-11-9-17(10-12-19)26-22(29)20-15-25-28(21(20)16-7-8-16)18-5-3-2-4-6-18/h2-6,9-16H,7-8H2,1H3,(H,26,29)
InChIKeyVKOJQVZTVHGUSB-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.89
Rot. Bonds6

About 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 39997325) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID39997325
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1
InChIInChI=1S/C23H21N5OS/c1-27-14-13-24-23(27)30-19-11-9-17(10-12-19)26-22(29)20-15-25-28(21(20)16-7-8-16)18-5-3-2-4-6-18/h2-6,9-16H,7-8H2,1H3,(H,26,29)
InChIKeyVKOJQVZTVHGUSB-UHFFFAOYSA-N
XLogP4.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-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 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide (CID 39997325) is 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide is Cn1ccnc1Sc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is VKOJQVZTVHGUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-27-14-13-24-23(27)30-19-11-9-17(10-12-19)26-22(29)20-15-25-28(21(20)16-7-8-16)18-5-3-2-4-6-18/h2-6,9-16H,7-8H2,1H3,(H,26,29).
What are the key properties of 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 39997325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).