4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

C18H16FN3O — CID 71455283

IUPAC4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3O/c1-11-16(17(18(20)23)22-21-11)10-12-3-2-4-14(9-12)13-5-7-15(19)8-6-13/h2-9H,10H2,1H3,(H2,20,23)(H,21,22)
InChIKeySWMKQDFCXJVNEO-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.21
Rot. Bonds4

About 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 71455283) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID71455283
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(N)=O)c1Cc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN3O/c1-11-16(17(18(20)23)22-21-11)10-12-3-2-4-14(9-12)13-5-7-15(19)8-6-13/h2-9H,10H2,1H3,(H2,20,23)(H,21,22)
InChIKeySWMKQDFCXJVNEO-UHFFFAOYSA-N
XLogP3.21
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9655981
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CID 6864069
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CID 9592732
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CID 9665258
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CID 16022660
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CID 46944140
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CID 5409281
CID 5409281

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 71455283) is 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(N)=O)c1Cc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is SWMKQDFCXJVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-16(17(18(20)23)22-21-11)10-12-3-2-4-14(9-12)13-5-7-15(19)8-6-13/h2-9H,10H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71455283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).