N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide

C16H15N5OS — CID 124593195

IUPACN-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide
SMILESC[C@@H]1C[C@@H]1c1cc(NC(=O)c2cnns2)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N5OS/c1-10-7-12(10)13-8-15(18-16(22)14-9-17-20-23-14)21(19-13)11-5-3-2-4-6-11/h2-6,8-10,12H,7H2,1H3,(H,18,22)/t10-,12+/m1/s1
InChIKeyYVTNCFFMHYGYFP-PWSUYJOCSA-N
MW325.40 g/mol
LogP3.10
Rot. Bonds4

About N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide

N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide (PubChem CID 124593195) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide
PubChem CID124593195
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide
SMILESC[C@@H]1C[C@@H]1c1cc(NC(=O)c2cnns2)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N5OS/c1-10-7-12(10)13-8-15(18-16(22)14-9-17-20-23-14)21(19-13)11-5-3-2-4-6-11/h2-6,8-10,12H,7H2,1H3,(H,18,22)/t10-,12+/m1/s1
InChIKeyYVTNCFFMHYGYFP-PWSUYJOCSA-N
XLogP3.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide (CID 124593195) is N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide is C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cnns2)n(-c2ccccc2)n1.
What is the InChIKey of N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide?
The InChIKey is YVTNCFFMHYGYFP-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-7-12(10)13-8-15(18-16(22)14-9-17-20-23-14)21(19-13)11-5-3-2-4-6-11/h2-6,8-10,12H,7H2,1H3,(H,18,22)/t10-,12+/m1/s1.
What are the key properties of N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide?
N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2R)-2-methylcyclopropyl]-1-phenylpyrazol-5-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 124593195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).