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

C19H20FN3O2 — CID 19515664

IUPAC3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H20FN3O2/c1-13(5-10-16-4-3-11-25-16)23(2)19(24)18-12-17(21-22-18)14-6-8-15(20)9-7-14/h3-4,6-9,11-13H,5,10H2,1-2H3,(H,21,22)
InChIKeyRBHXAJZERJFWHO-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.90
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19515664) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID19515664
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C19H20FN3O2/c1-13(5-10-16-4-3-11-25-16)23(2)19(24)18-12-17(21-22-18)14-6-8-15(20)9-7-14/h3-4,6-9,11-13H,5,10H2,1-2H3,(H,21,22)
InChIKeyRBHXAJZERJFWHO-UHFFFAOYSA-N
XLogP3.90
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide (CID 19515664) is 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide is CC(CCc1ccco1)N(C)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is RBHXAJZERJFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13(5-10-16-4-3-11-25-16)23(2)19(24)18-12-17(21-22-18)14-6-8-15(20)9-7-14/h3-4,6-9,11-13H,5,10H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).