2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

C16H18F2N4O2 — CID 154854680

IUPAC2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCOC(C(=O)Nc1cn[nH]c1C1CCNC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N4O2/c1-24-15(10-4-11(17)6-12(18)5-10)16(23)21-13-8-20-22-14(13)9-2-3-19-7-9/h4-6,8-9,15,19H,2-3,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyCCYGNZSFUDKTKL-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.09
Rot. Bonds5

About 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (PubChem CID 154854680) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
PubChem CID154854680
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCOC(C(=O)Nc1cn[nH]c1C1CCNC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H18F2N4O2/c1-24-15(10-4-11(17)6-12(18)5-10)16(23)21-13-8-20-22-14(13)9-2-3-19-7-9/h4-6,8-9,15,19H,2-3,7H2,1H3,(H,20,22)(H,21,23)
InChIKeyCCYGNZSFUDKTKL-UHFFFAOYSA-N
XLogP2.09
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 138032035
3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide
CID 138032018
2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167879678
(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167750295
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
CID 166410481
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
2-cyclopropyl-N-(5-cyclopropyl-1H-pyrazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 154851326
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(6-cyclopropylpyridazin-3-yl)urea
CID 166243941
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
CID 166244026
5-fluoro-4-pyrrolidin-3-yl-1H-pyrazole
CID 139344016
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea
CID 167867415

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (CID 154854680) is 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is COC(C(=O)Nc1cn[nH]c1C1CCNC1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The InChIKey is CCYGNZSFUDKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-24-15(10-4-11(17)6-12(18)5-10)16(23)21-13-8-20-22-14(13)9-2-3-19-7-9/h4-6,8-9,15,19H,2-3,7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide has a molecular weight of 336.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 154854680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).