5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide

C20H28N4O2 — CID 50960923

IUPAC5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)N(C)Cc2n[nH]c3c2CCC3)cc1CN1CCCC1
InChIInChI=1S/C20H28N4O2/c1-3-18-14(12-24-9-4-5-10-24)11-19(26-18)20(25)23(2)13-17-15-7-6-8-16(15)21-22-17/h11H,3-10,12-13H2,1-2H3,(H,21,22)
InChIKeyRXNRIJDPBQCNNQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.92
Rot. Bonds6

About 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide

5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide (PubChem CID 50960923) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide
PubChem CID50960923
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)N(C)Cc2n[nH]c3c2CCC3)cc1CN1CCCC1
InChIInChI=1S/C20H28N4O2/c1-3-18-14(12-24-9-4-5-10-24)11-19(26-18)20(25)23(2)13-17-15-7-6-8-16(15)21-22-17/h11H,3-10,12-13H2,1-2H3,(H,21,22)
InChIKeyRXNRIJDPBQCNNQ-UHFFFAOYSA-N
XLogP2.92
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide (CID 50960923) is 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide is CCc1oc(C(=O)N(C)Cc2n[nH]c3c2CCC3)cc1CN1CCCC1.
What is the InChIKey of 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide?
The InChIKey is RXNRIJDPBQCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-18-14(12-24-9-4-5-10-24)11-19(26-18)20(25)23(2)13-17-15-7-6-8-16(15)21-22-17/h11H,3-10,12-13H2,1-2H3,(H,21,22).
What are the key properties of 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide?
5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50960923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).