5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide

C18H18ClN5OS — CID 648890

IUPAC5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C18H18ClN5OS/c1-11-14(15(19)24(23-11)13-9-3-2-4-10-13)16(25)20-18-22-21-17(26-18)12-7-5-6-8-12/h2-4,9-10,12H,5-8H2,1H3,(H,20,22,25)
InChIKeyCQRDDDXWKGYVQC-UHFFFAOYSA-N
MW387.90 g/mol
LogP4.60
Rot. Bonds4

About 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 648890) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID648890
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Name5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C18H18ClN5OS/c1-11-14(15(19)24(23-11)13-9-3-2-4-10-13)16(25)20-18-22-21-17(26-18)12-7-5-6-8-12/h2-4,9-10,12H,5-8H2,1H3,(H,20,22,25)
InChIKeyCQRDDDXWKGYVQC-UHFFFAOYSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 648890) is 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCC2)s1.
What is the InChIKey of 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is CQRDDDXWKGYVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-11-14(15(19)24(23-11)13-9-3-2-4-10-13)16(25)20-18-22-21-17(26-18)12-7-5-6-8-12/h2-4,9-10,12H,5-8H2,1H3,(H,20,22,25).
What are the key properties of 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 387.90 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 648890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).