1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C21H20F2N4O2 — CID 154841949

IUPAC1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1nn(-c2cccc(F)c2F)c2c1CCC2)N(CCO)Cc1cccnc1
InChIInChI=1S/C21H20F2N4O2/c22-16-6-2-8-18(19(16)23)27-17-7-1-5-15(17)20(25-27)21(29)26(10-11-28)13-14-4-3-9-24-12-14/h2-4,6,8-9,12,28H,1,5,7,10-11,13H2
InChIKeyYOZBAFRVIPWORW-UHFFFAOYSA-N
MW398.41 g/mol
LogP2.67
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 154841949) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID154841949
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1nn(-c2cccc(F)c2F)c2c1CCC2)N(CCO)Cc1cccnc1
InChIInChI=1S/C21H20F2N4O2/c22-16-6-2-8-18(19(16)23)27-17-7-1-5-15(17)20(25-27)21(29)26(10-11-28)13-14-4-3-9-24-12-14/h2-4,6,8-9,12,28H,1,5,7,10-11,13H2
InChIKeyYOZBAFRVIPWORW-UHFFFAOYSA-N
XLogP2.67
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110890136
4-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]butanoic acid
CID 122107128
N-(2-hydroxyethyl)-1-(2-methylphenyl)-N-propyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110907858
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 122107230
1-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 122108114
1-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37030789
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55687554
3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207081
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
CID 122108526
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39390008

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 154841949) is 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(c1nn(-c2cccc(F)c2F)c2c1CCC2)N(CCO)Cc1cccnc1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YOZBAFRVIPWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-16-6-2-8-18(19(16)23)27-17-7-1-5-15(17)20(25-27)21(29)26(10-11-28)13-14-4-3-9-24-12-14/h2-4,6,8-9,12,28H,1,5,7,10-11,13H2.
What are the key properties of 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 154841949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).