N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C19H24FN5O2 — CID 126768067

IUPACN-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCCN2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cn1
InChIInChI=1S/C19H24FN5O2/c1-23-13-14(12-21-23)18-3-2-4-25(18)19(26)22-16-9-15(20)10-17(11-16)24-5-7-27-8-6-24/h9-13,18H,2-8H2,1H3,(H,22,26)
InChIKeyKQIQFVWYBVOJKQ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.76
Rot. Bonds3

About N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 126768067) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID126768067
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCCN2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cn1
InChIInChI=1S/C19H24FN5O2/c1-23-13-14(12-21-23)18-3-2-4-25(18)19(26)22-16-9-15(20)10-17(11-16)24-5-7-27-8-6-24/h9-13,18H,2-8H2,1H3,(H,22,26)
InChIKeyKQIQFVWYBVOJKQ-UHFFFAOYSA-N
XLogP2.76
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 129403478
(2R)-N-(3-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94655019
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
(2R)-N-(3-methyl-4-nitrophenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99698166
2-(4-methoxyphenyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136511992
(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169177060
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
1-(3-fluoro-5-morpholin-4-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 91649292
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256
N-(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167800995
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide
CID 136553437

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 126768067) is N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cn1cc(C2CCCN2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cn1.
What is the InChIKey of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is KQIQFVWYBVOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-23-13-14(12-21-23)18-3-2-4-25(18)19(26)22-16-9-15(20)10-17(11-16)24-5-7-27-8-6-24/h9-13,18H,2-8H2,1H3,(H,22,26).
What are the key properties of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126768067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).