1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide

C11H14N6OS — CID 126948008

IUPAC1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCc1nsc(N2CCC(n3cc(C(N)=O)cn3)C2)n1
InChIInChI=1S/C11H14N6OS/c1-7-14-11(19-15-7)16-3-2-9(6-16)17-5-8(4-13-17)10(12)18/h4-5,9H,2-3,6H2,1H3,(H2,12,18)
InChIKeyBJECERNMEUAIDY-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.59
Rot. Bonds3

About 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide

1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126948008) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID126948008
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCc1nsc(N2CCC(n3cc(C(N)=O)cn3)C2)n1
InChIInChI=1S/C11H14N6OS/c1-7-14-11(19-15-7)16-3-2-9(6-16)17-5-8(4-13-17)10(12)18/h4-5,9H,2-3,6H2,1H3,(H2,12,18)
InChIKeyBJECERNMEUAIDY-UHFFFAOYSA-N
XLogP0.59
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948012
1-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948101
1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazole-4-carboxylic acid
CID 154842199
1-[1-(6-pyrazol-1-ylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948107
1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947939
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948123
1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947993
1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947839
5-[3-(chloromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273292
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948057

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 126948008) is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide is Cc1nsc(N2CCC(n3cc(C(N)=O)cn3)C2)n1.
What is the InChIKey of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is BJECERNMEUAIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-7-14-11(19-15-7)16-3-2-9(6-16)17-5-8(4-13-17)10(12)18/h4-5,9H,2-3,6H2,1H3,(H2,12,18).
What are the key properties of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126948008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).