1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide

C14H19N3O2 — CID 42878919

IUPAC1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)C(C)C)cc1-c1ccco1
InChIInChI=1S/C14H19N3O2/c1-5-17-12(13-7-6-8-19-13)9-11(15-17)14(18)16(4)10(2)3/h6-10H,5H2,1-4H3
InChIKeyAJBNCNPCFYAPQP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.64
Rot. Bonds4

About 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide

1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 42878919) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID42878919
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)N(C)C(C)C)cc1-c1ccco1
InChIInChI=1S/C14H19N3O2/c1-5-17-12(13-7-6-8-19-13)9-11(15-17)14(18)16(4)10(2)3/h6-10H,5H2,1-4H3
InChIKeyAJBNCNPCFYAPQP-UHFFFAOYSA-N
XLogP2.64
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 42878919) is 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide is CCn1nc(C(=O)N(C)C(C)C)cc1-c1ccco1.
What is the InChIKey of 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is AJBNCNPCFYAPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-17-12(13-7-6-8-19-13)9-11(15-17)14(18)16(4)10(2)3/h6-10H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide?
1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(furan-2-yl)-N-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 42878919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).