1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide

C17H20N6O2 — CID 75434171

IUPAC1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
SMILESCCC(C)n1ncc(C(=O)Nc2n[nH]c(-c3ccoc3)n2)c1C1CC1
InChIInChI=1S/C17H20N6O2/c1-3-10(2)23-14(11-4-5-11)13(8-18-23)16(24)20-17-19-15(21-22-17)12-6-7-25-9-12/h6-11H,3-5H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyDOLONKJLGPOOOM-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.36
Rot. Bonds6

About 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide

1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide (PubChem CID 75434171) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
PubChem CID75434171
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
SMILESCCC(C)n1ncc(C(=O)Nc2n[nH]c(-c3ccoc3)n2)c1C1CC1
InChIInChI=1S/C17H20N6O2/c1-3-10(2)23-14(11-4-5-11)13(8-18-23)16(24)20-17-19-15(21-22-17)12-6-7-25-9-12/h6-11H,3-5H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyDOLONKJLGPOOOM-UHFFFAOYSA-N
XLogP3.36
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide (CID 75434171) is 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide is CCC(C)n1ncc(C(=O)Nc2n[nH]c(-c3ccoc3)n2)c1C1CC1.
What is the InChIKey of 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is DOLONKJLGPOOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-10(2)23-14(11-4-5-11)13(8-18-23)16(24)20-17-19-15(21-22-17)12-6-7-25-9-12/h6-11H,3-5H2,1-2H3,(H2,19,20,21,22,24).
What are the key properties of 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-cyclopropyl-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 75434171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).