N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide

C11H8ClN5OS — CID 75390552

IUPACN-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1ccn[nH]1
InChIInChI=1S/C11H8ClN5OS/c12-9-2-1-8(19-9)7-5-10(17-16-7)14-11(18)6-3-4-13-15-6/h1-5H,(H,13,15)(H2,14,16,17,18)
InChIKeyIDIQLYACDXHQBE-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.77
Rot. Bonds3

About N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide

N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 75390552) has the molecular formula C11H8ClN5OS and a molecular weight of 293.74 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID75390552
Molecular FormulaC11H8ClN5OS
Molecular Weight293.74 g/mol
Exact Mass293.01
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1ccn[nH]1
InChIInChI=1S/C11H8ClN5OS/c12-9-2-1-8(19-9)7-5-10(17-16-7)14-11(18)6-3-4-13-15-6/h1-5H,(H,13,15)(H2,14,16,17,18)
InChIKeyIDIQLYACDXHQBE-UHFFFAOYSA-N
XLogP2.77
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide (CID 75390552) is N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1ccn[nH]1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is IDIQLYACDXHQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5OS/c12-9-2-1-8(19-9)7-5-10(17-16-7)14-11(18)6-3-4-13-15-6/h1-5H,(H,13,15)(H2,14,16,17,18).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 293.74 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75390552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).