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

C20H18F2N4O2 — CID 166232470

IUPAC1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC(O)c1ccncc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C20H18F2N4O2/c21-15-5-4-13(10-16(15)22)26-17-3-1-2-14(17)19(25-26)20(28)24-11-18(27)12-6-8-23-9-7-12/h4-10,18,27H,1-3,11H2,(H,24,28)
InChIKeyQMYMARSJWLCZOJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.50
Rot. Bonds5

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

1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 166232470) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID166232470
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC(O)c1ccncc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C20H18F2N4O2/c21-15-5-4-13(10-16(15)22)26-17-3-1-2-14(17)19(25-26)20(28)24-11-18(27)12-6-8-23-9-7-12/h4-10,18,27H,1-3,11H2,(H,24,28)
InChIKeyQMYMARSJWLCZOJ-UHFFFAOYSA-N
XLogP2.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55772236
1-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120653318
1-(3,4-difluorophenyl)-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 60508636
N-(3-aminopropyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119407715
1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 75464118
1-(3,4-difluorophenyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56559190
1-(3,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 87043737
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773639
1-(3,4-difluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126781032
1-(3,4-difluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773204
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30480120
N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 166232470) is 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NCC(O)c1ccncc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is QMYMARSJWLCZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-15-5-4-13(10-16(15)22)26-17-3-1-2-14(17)19(25-26)20(28)24-11-18(27)12-6-8-23-9-7-12/h4-10,18,27H,1-3,11H2,(H,24,28).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 166232470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).