3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide

C21H26F2N4O3 — CID 166230032

IUPAC3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCCCc1c(NC(=O)N2CCC(O)(C3CC3)C2)cnn1-c1cc(F)c(OC)cc1F
InChIInChI=1S/C21H26F2N4O3/c1-3-4-17-16(25-20(28)26-8-7-21(29,12-26)13-5-6-13)11-24-27(17)18-9-15(23)19(30-2)10-14(18)22/h9-11,13,29H,3-8,12H2,1-2H3,(H,25,28)
InChIKeyDCNUEMUHUSRTGC-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.49
Rot. Bonds6

About 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide

3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 166230032) has the molecular formula C21H26F2N4O3 and a molecular weight of 420.46 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID166230032
Molecular FormulaC21H26F2N4O3
Molecular Weight420.46 g/mol
Exact Mass420.20
IUPAC Name3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCCCc1c(NC(=O)N2CCC(O)(C3CC3)C2)cnn1-c1cc(F)c(OC)cc1F
InChIInChI=1S/C21H26F2N4O3/c1-3-4-17-16(25-20(28)26-8-7-21(29,12-26)13-5-6-13)11-24-27(17)18-9-15(23)19(30-2)10-14(18)22/h9-11,13,29H,3-8,12H2,1-2H3,(H,25,28)
InChIKeyDCNUEMUHUSRTGC-UHFFFAOYSA-N
XLogP3.49
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluoro-4-methoxyphenyl)-N-(6-hydroxy-1H-indazol-3-yl)-5-propylpyrazole-4-carboxamide
CID 167982263
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
1-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122089636
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
1-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090975
(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124618863
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
1-[(3-fluoro-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149656
1-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122087350
N-[1-(4-chlorophenyl)-5-ethylpyrazol-4-yl]-4,4-difluoroazepane-1-carboxamide
CID 131963809
N'-[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]-N-spiro[5.5]undecan-5-yloxamide
CID 167961763
(3R)-N-(3-fluoro-4-methoxyphenyl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104291

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 166230032) is 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide is CCCc1c(NC(=O)N2CCC(O)(C3CC3)C2)cnn1-c1cc(F)c(OC)cc1F.
What is the InChIKey of 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is DCNUEMUHUSRTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O3/c1-3-4-17-16(25-20(28)26-8-7-21(29,12-26)13-5-6-13)11-24-27(17)18-9-15(23)19(30-2)10-14(18)22/h9-11,13,29H,3-8,12H2,1-2H3,(H,25,28).
What are the key properties of 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(2,5-difluoro-4-methoxyphenyl)-5-propylpyrazol-4-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 166230032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).