N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide

C14H10Cl2N4OS — CID 99703193

IUPACN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl2N4OS/c1-8-2-3-22-12(8)14(21)19-10-6-18-20(7-10)13-11(16)4-9(15)5-17-13/h2-7H,1H3,(H,19,21)
InChIKeyAWSYCXJJTPTQFP-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.20
Rot. Bonds3

About N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide

N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 99703193) has the molecular formula C14H10Cl2N4OS and a molecular weight of 353.23 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID99703193
Molecular FormulaC14H10Cl2N4OS
Molecular Weight353.23 g/mol
Exact Mass352.00
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl2N4OS/c1-8-2-3-22-12(8)14(21)19-10-6-18-20(7-10)13-11(16)4-9(15)5-17-13/h2-7H,1H3,(H,19,21)
InChIKeyAWSYCXJJTPTQFP-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide (CID 99703193) is N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is AWSYCXJJTPTQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4OS/c1-8-2-3-22-12(8)14(21)19-10-6-18-20(7-10)13-11(16)4-9(15)5-17-13/h2-7H,1H3,(H,19,21).
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 353.23 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 99703193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).