N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide

C16H16FN5OS — CID 167852484

IUPACN-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1c(NC(=O)c2nnc(C)s2)cnn1-c1cccc(F)c1
InChIInChI=1S/C16H16FN5OS/c1-3-5-14-13(19-15(23)16-21-20-10(2)24-16)9-18-22(14)12-7-4-6-11(17)8-12/h4,6-9H,3,5H2,1-2H3,(H,19,23)
InChIKeyDNHJWFXVGOBUKU-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide

N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 167852484) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID167852484
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC NameN-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1c(NC(=O)c2nnc(C)s2)cnn1-c1cccc(F)c1
InChIInChI=1S/C16H16FN5OS/c1-3-5-14-13(19-15(23)16-21-20-10(2)24-16)9-18-22(14)12-7-4-6-11(17)8-12/h4,6-9H,3,5H2,1-2H3,(H,19,23)
InChIKeyDNHJWFXVGOBUKU-UHFFFAOYSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089630
1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122089636
N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide
CID 167961763
5-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]amino]-2,2-dimethylpentanenitrile
CID 86818123
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
4-(bromomethyl)-5-ethyl-1-(3-fluorophenyl)pyrazole
CID 66437510
4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122091735
tert-butyl N-[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamate
CID 86775149
1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090975
2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82290116
3-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090983
N-(2-bromophenyl)-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936864

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide (CID 167852484) is N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide is CCCc1c(NC(=O)c2nnc(C)s2)cnn1-c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DNHJWFXVGOBUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-3-5-14-13(19-15(23)16-21-20-10(2)24-16)9-18-22(14)12-7-4-6-11(17)8-12/h4,6-9H,3,5H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide?
N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-5-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 167852484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).