1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H22FN3O2 — CID 75361414

IUPAC1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H22FN3O2/c20-15-5-1-2-6-17(15)23-16-7-3-4-14(16)18(22-23)19(25)21-12-8-10-13(24)11-9-12/h1-2,5-6,12-13,24H,3-4,7-11H2,(H,21,25)
InChIKeySTBYQKCMIZGZBX-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 75361414) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID75361414
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H22FN3O2/c20-15-5-1-2-6-17(15)23-16-7-3-4-14(16)18(22-23)19(25)21-12-8-10-13(24)11-9-12/h1-2,5-6,12-13,24H,3-4,7-11H2,(H,21,25)
InChIKeySTBYQKCMIZGZBX-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 75361414) is 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(NC1CCC(O)CC1)c1nn(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is STBYQKCMIZGZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-5-1-2-6-17(15)23-16-7-3-4-14(16)18(22-23)19(25)21-12-8-10-13(24)11-9-12/h1-2,5-6,12-13,24H,3-4,7-11H2,(H,21,25).
What are the key properties of 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 75361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).