N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide

C11H10N4O2S — CID 110482169

IUPACN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESN#Cc1cnn(CCO)c1NC(=O)c1cccs1
InChIInChI=1S/C11H10N4O2S/c12-6-8-7-13-15(3-4-16)10(8)14-11(17)9-2-1-5-18-9/h1-2,5,7,16H,3-4H2,(H,14,17)
InChIKeyUPXGPZHAFPTUFE-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.06
Rot. Bonds4

About N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide

N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 110482169) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID110482169
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESN#Cc1cnn(CCO)c1NC(=O)c1cccs1
InChIInChI=1S/C11H10N4O2S/c12-6-8-7-13-15(3-4-16)10(8)14-11(17)9-2-1-5-18-9/h1-2,5,7,16H,3-4H2,(H,14,17)
InChIKeyUPXGPZHAFPTUFE-UHFFFAOYSA-N
XLogP1.06
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide (CID 110482169) is N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide is N#Cc1cnn(CCO)c1NC(=O)c1cccs1.
What is the InChIKey of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is UPXGPZHAFPTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-6-8-7-13-15(3-4-16)10(8)14-11(17)9-2-1-5-18-9/h1-2,5,7,16H,3-4H2,(H,14,17).
What are the key properties of N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide?
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 110482169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).