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

C16H18F2N4O — CID 138032018

IUPAC3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cccc(F)c1F)Nc1cn[nH]c1C1CCNC1
InChIInChI=1S/C16H18F2N4O/c17-12-3-1-2-10(15(12)18)4-5-14(23)21-13-9-20-22-16(13)11-6-7-19-8-11/h1-3,9,11,19H,4-8H2,(H,20,22)(H,21,23)
InChIKeyUSELBHPGWKTKOV-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.34
Rot. Bonds5

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

3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide (PubChem CID 138032018) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide
PubChem CID138032018
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cccc(F)c1F)Nc1cn[nH]c1C1CCNC1
InChIInChI=1S/C16H18F2N4O/c17-12-3-1-2-10(15(12)18)4-5-14(23)21-13-9-20-22-16(13)11-6-7-19-8-11/h1-3,9,11,19H,4-8H2,(H,20,22)(H,21,23)
InChIKeyUSELBHPGWKTKOV-UHFFFAOYSA-N
XLogP2.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide (CID 138032018) is 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide is O=C(CCc1cccc(F)c1F)Nc1cn[nH]c1C1CCNC1.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide?
The InChIKey is USELBHPGWKTKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-12-3-1-2-10(15(12)18)4-5-14(23)21-13-9-20-22-16(13)11-6-7-19-8-11/h1-3,9,11,19H,4-8H2,(H,20,22)(H,21,23).
What are the key properties of 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide?
3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide has a molecular weight of 320.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 138032018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).