N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide

C20H16FN5O2 — CID 42237351

IUPACN-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(F)c2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C20H16FN5O2/c1-13-16(19(27)23-11-14-4-2-5-15(21)10-14)12-24-26(13)20-22-8-7-17(25-20)18-6-3-9-28-18/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyVVEVUPILGWEVEH-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.30
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 42237351) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
PubChem CID42237351
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(F)c2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C20H16FN5O2/c1-13-16(19(27)23-11-14-4-2-5-15(21)10-14)12-24-26(13)20-22-8-7-17(25-20)18-6-3-9-28-18/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyVVEVUPILGWEVEH-UHFFFAOYSA-N
XLogP3.30
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide (CID 42237351) is N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(F)c2)cnn1-c1nccc(-c2ccco2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is VVEVUPILGWEVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-13-16(19(27)23-11-14-4-2-5-15(21)10-14)12-24-26(13)20-22-8-7-17(25-20)18-6-3-9-28-18/h2-10,12H,11H2,1H3,(H,23,27).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 42237351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).