N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide

C11H12N6OS — CID 3800920

IUPACN-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide
SMILESN#CCCCCn1cc(NC(=O)c2csnn2)cn1
InChIInChI=1S/C11H12N6OS/c12-4-2-1-3-5-17-7-9(6-13-17)14-11(18)10-8-19-16-15-10/h6-8H,1-3,5H2,(H,14,18)
InChIKeyZCGWVXMGOPQLIF-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.68
Rot. Bonds6

About N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide

N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide (PubChem CID 3800920) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide
PubChem CID3800920
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC NameN-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide
SMILESN#CCCCCn1cc(NC(=O)c2csnn2)cn1
InChIInChI=1S/C11H12N6OS/c12-4-2-1-3-5-17-7-9(6-13-17)14-11(18)10-8-19-16-15-10/h6-8H,1-3,5H2,(H,14,18)
InChIKeyZCGWVXMGOPQLIF-UHFFFAOYSA-N
XLogP1.68
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[1-(4-cyanobutyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 5006445
1-[1-(4-cyanobutyl)pyrazol-4-yl]-3-prop-2-enylthiourea
CID 4586656
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61018758
N-(6-amino-3-pyridinyl)thiadiazole-4-carboxamide
CID 65216177
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 156596108
N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 60557155
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700
2-[4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63286943
N-(2-bromo-2-cyclopropylethyl)thiadiazole-4-carboxamide
CID 114315970
N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130069
N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 147150975

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide (CID 3800920) is N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide is N#CCCCCn1cc(NC(=O)c2csnn2)cn1.
What is the InChIKey of N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide?
The InChIKey is ZCGWVXMGOPQLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c12-4-2-1-3-5-17-7-9(6-13-17)14-11(18)10-8-19-16-15-10/h6-8H,1-3,5H2,(H,14,18).
What are the key properties of N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide?
N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanobutyl)pyrazol-4-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3800920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).