5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide

C20H20FN5O — CID 176715033

IUPAC5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCc3c2cnn3-c2ccccc2F)c1C1CC1
InChIInChI=1S/C20H20FN5O/c1-25-11-22-18(19(25)12-6-7-12)20(27)24-15-8-9-16-13(15)10-23-26(16)17-5-3-2-4-14(17)21/h2-5,10-12,15H,6-9H2,1H3,(H,24,27)
InChIKeyCUSRXDRCRIUPEU-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.04
Rot. Bonds4

About 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide

5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide (PubChem CID 176715033) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide
PubChem CID176715033
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NC2CCc3c2cnn3-c2ccccc2F)c1C1CC1
InChIInChI=1S/C20H20FN5O/c1-25-11-22-18(19(25)12-6-7-12)20(27)24-15-8-9-16-13(15)10-23-26(16)17-5-3-2-4-14(17)21/h2-5,10-12,15H,6-9H2,1H3,(H,24,27)
InChIKeyCUSRXDRCRIUPEU-UHFFFAOYSA-N
XLogP3.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide (CID 176715033) is 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NC2CCc3c2cnn3-c2ccccc2F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide?
The InChIKey is CUSRXDRCRIUPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-25-11-22-18(19(25)12-6-7-12)20(27)24-15-8-9-16-13(15)10-23-26(16)17-5-3-2-4-14(17)21/h2-5,10-12,15H,6-9H2,1H3,(H,24,27).
What are the key properties of 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide?
5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 176715033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).