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

C18H18FN3O2 — CID 95986015

IUPAC3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C18H18FN3O2/c1-12(10-15-4-3-9-24-15)20-18(23)17-11-16(21-22(17)2)13-5-7-14(19)8-6-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyIHMOMZHAELQZBI-LBPRGKRZSA-N
MW327.36 g/mol
LogP3.18
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 95986015) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide
PubChem CID95986015
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C18H18FN3O2/c1-12(10-15-4-3-9-24-15)20-18(23)17-11-16(21-22(17)2)13-5-7-14(19)8-6-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyIHMOMZHAELQZBI-LBPRGKRZSA-N
XLogP3.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide (CID 95986015) is 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide is C[C@@H](Cc1ccco1)NC(=O)c1cc(-c2ccc(F)cc2)nn1C.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is IHMOMZHAELQZBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12(10-15-4-3-9-24-15)20-18(23)17-11-16(21-22(17)2)13-5-7-14(19)8-6-13/h3-9,11-12H,10H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 95986015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).