3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide

C18H14N4O2S — CID 167969492

IUPAC3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1csc(-c2ccc(NC(=O)c3cc(-c4ccoc4)n[nH]3)cc2)n1
InChIInChI=1S/C18H14N4O2S/c1-11-10-25-18(19-11)12-2-4-14(5-3-12)20-17(23)16-8-15(21-22-16)13-6-7-24-9-13/h2-10H,1H3,(H,20,23)(H,21,22)
InChIKeyCVTRXPXMTUZHGE-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.35
Rot. Bonds4

About 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide

3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 167969492) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID167969492
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1csc(-c2ccc(NC(=O)c3cc(-c4ccoc4)n[nH]3)cc2)n1
InChIInChI=1S/C18H14N4O2S/c1-11-10-25-18(19-11)12-2-4-14(5-3-12)20-17(23)16-8-15(21-22-16)13-6-7-24-9-13/h2-10H,1H3,(H,20,23)(H,21,22)
InChIKeyCVTRXPXMTUZHGE-UHFFFAOYSA-N
XLogP4.35
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 167969492) is 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide is Cc1csc(-c2ccc(NC(=O)c3cc(-c4ccoc4)n[nH]3)cc2)n1.
What is the InChIKey of 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CVTRXPXMTUZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-10-25-18(19-11)12-2-4-14(5-3-12)20-17(23)16-8-15(21-22-16)13-6-7-24-9-13/h2-10H,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167969492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).