N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C17H19N3O2S — CID 19515466

IUPACN-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H19N3O2S/c1-12(7-8-13-5-3-9-22-13)20(2)17(21)15-11-14(18-19-15)16-6-4-10-23-16/h3-6,9-12H,7-8H2,1-2H3,(H,18,19)
InChIKeyMFKCMAYSBRFFJG-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.82
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19515466) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19515466
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C17H19N3O2S/c1-12(7-8-13-5-3-9-22-13)20(2)17(21)15-11-14(18-19-15)16-6-4-10-23-16/h3-6,9-12H,7-8H2,1-2H3,(H,18,19)
InChIKeyMFKCMAYSBRFFJG-UHFFFAOYSA-N
XLogP3.82
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19515466) is N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC(CCc1ccco1)N(C)C(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MFKCMAYSBRFFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(7-8-13-5-3-9-22-13)20(2)17(21)15-11-14(18-19-15)16-6-4-10-23-16/h3-6,9-12H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19515466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).