3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide

C25H27FN4O2 — CID 31205411

IUPAC3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C25H27FN4O2/c26-20-10-8-19(9-11-20)24(29-12-14-32-15-13-29)17-27-25(31)23-16-22(18-6-7-18)28-30(23)21-4-2-1-3-5-21/h1-5,8-11,16,18,24H,6-7,12-15,17H2,(H,27,31)/t24-/m1/s1
InChIKeyDAYHRGXUJFRCAQ-XMMPIXPASA-N
MW434.52 g/mol
LogP3.69
Rot. Bonds7

About 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 31205411) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
PubChem CID31205411
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C25H27FN4O2/c26-20-10-8-19(9-11-20)24(29-12-14-32-15-13-29)17-27-25(31)23-16-22(18-6-7-18)28-30(23)21-4-2-1-3-5-21/h1-5,8-11,16,18,24H,6-7,12-15,17H2,(H,27,31)/t24-/m1/s1
InChIKeyDAYHRGXUJFRCAQ-XMMPIXPASA-N
XLogP3.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 43019758
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264
3-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-oxophthalazine-1-carboxamide
CID 31085409
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4807578
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide (CID 31205411) is 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide is O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is DAYHRGXUJFRCAQ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27FN4O2/c26-20-10-8-19(9-11-20)24(29-12-14-32-15-13-29)17-27-25(31)23-16-22(18-6-7-18)28-30(23)21-4-2-1-3-5-21/h1-5,8-11,16,18,24H,6-7,12-15,17H2,(H,27,31)/t24-/m1/s1.
What are the key properties of 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 31205411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).