N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide

C18H23N3O2 — CID 86266579

IUPACN-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nc(CN(C(=O)c2ccco2)C2CCCC2)c2c1CCC2
InChIInChI=1S/C18H23N3O2/c1-20-16-9-4-8-14(16)15(19-20)12-21(13-6-2-3-7-13)18(22)17-10-5-11-23-17/h5,10-11,13H,2-4,6-9,12H2,1H3
InChIKeyXJJVANIUWWZBSY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.09
Rot. Bonds4

About N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide

N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 86266579) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide
PubChem CID86266579
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1nc(CN(C(=O)c2ccco2)C2CCCC2)c2c1CCC2
InChIInChI=1S/C18H23N3O2/c1-20-16-9-4-8-14(16)15(19-20)12-21(13-6-2-3-7-13)18(22)17-10-5-11-23-17/h5,10-11,13H,2-4,6-9,12H2,1H3
InChIKeyXJJVANIUWWZBSY-UHFFFAOYSA-N
XLogP3.09
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide (CID 86266579) is N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide is Cn1nc(CN(C(=O)c2ccco2)C2CCCC2)c2c1CCC2.
What is the InChIKey of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is XJJVANIUWWZBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-16-9-4-8-14(16)15(19-20)12-21(13-6-2-3-7-13)18(22)17-10-5-11-23-17/h5,10-11,13H,2-4,6-9,12H2,1H3.
What are the key properties of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide?
N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 86266579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).