1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

C23H19F2N5O2 — CID 46490602

IUPAC1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C23H19F2N5O2/c24-17-9-8-14(11-18(17)25)30-20-7-3-5-16(20)22(29-30)23(32)28-27-21(31)10-13-12-26-19-6-2-1-4-15(13)19/h1-2,4,6,8-9,11-12,26H,3,5,7,10H2,(H,27,31)(H,28,32)
InChIKeyDYGSCZWSVFBYKH-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.12
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (PubChem CID 46490602) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
PubChem CID46490602
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C23H19F2N5O2/c24-17-9-8-14(11-18(17)25)30-20-7-3-5-16(20)22(29-30)23(32)28-27-21(31)10-13-12-26-19-6-2-1-4-15(13)19/h1-2,4,6,8-9,11-12,26H,3,5,7,10H2,(H,27,31)(H,28,32)
InChIKeyDYGSCZWSVFBYKH-UHFFFAOYSA-N
XLogP3.12
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728
N'-(4-chloro-1-methylpyrrole-2-carbonyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 47046902
3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 55616581
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
1-(4-fluorophenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]-4,5,6,7-tetrahydroindazole-3-carbohydrazide
CID 43044595
4-hydroxy-N'-[2-(1H-indol-3-yl)acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 51186249
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
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-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55801148
N'-[2-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 24605294
1-(3,4-difluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55778022
2-hydroxyethyl 1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 71938033

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The IUPAC name of 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (CID 46490602) is 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The InChIKey is DYGSCZWSVFBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-17-9-8-14(11-18(17)25)30-20-7-3-5-16(20)22(29-30)23(32)28-27-21(31)10-13-12-26-19-6-2-1-4-15(13)19/h1-2,4,6,8-9,11-12,26H,3,5,7,10H2,(H,27,31)(H,28,32).
What are the key properties of 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide has a molecular weight of 435.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 46490602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).