N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide

C20H19F2N3O2 — CID 46944204

IUPACN-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C20H19F2N3O2/c1-2-9-27-19-8-7-15(22)10-16(19)17-11-18(25-24-17)20(26)23-12-13-3-5-14(21)6-4-13/h3-8,10-11H,2,9,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyMMKOTYUWVHRHTG-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.07
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46944204) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46944204
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C20H19F2N3O2/c1-2-9-27-19-8-7-15(22)10-16(19)17-11-18(25-24-17)20(26)23-12-13-3-5-14(21)6-4-13/h3-8,10-11H,2,9,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyMMKOTYUWVHRHTG-UHFFFAOYSA-N
XLogP4.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46944204) is N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide is CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MMKOTYUWVHRHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-2-9-27-19-8-7-15(22)10-16(19)17-11-18(25-24-17)20(26)23-12-13-3-5-14(21)6-4-13/h3-8,10-11H,2,9,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(5-fluoro-2-propoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46944204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).