N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

C20H18FN3O — CID 5226283

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)C1CC1c1ccccc1
InChIInChI=1S/C20H18FN3O/c21-16-8-6-14(7-9-16)12-24-13-17(11-22-24)23-20(25)19-10-18(19)15-4-2-1-3-5-15/h1-9,11,13,18-19H,10,12H2,(H,23,25)
InChIKeyNSIMIZBPCMJSGO-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.81
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 5226283) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID5226283
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)C1CC1c1ccccc1
InChIInChI=1S/C20H18FN3O/c21-16-8-6-14(7-9-16)12-24-13-17(11-22-24)23-20(25)19-10-18(19)15-4-2-1-3-5-15/h1-9,11,13,18-19H,10,12H2,(H,23,25)
InChIKeyNSIMIZBPCMJSGO-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (CID 5226283) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is NSIMIZBPCMJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-8-6-14(7-9-16)12-24-13-17(11-22-24)23-20(25)19-10-18(19)15-4-2-1-3-5-15/h1-9,11,13,18-19H,10,12H2,(H,23,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 5226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).