1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide

C14H16N6O2 — CID 75518079

IUPAC1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3c(C)nn(C)c3C)n[nH]2)o1
InChIInChI=1S/C14H16N6O2/c1-7-5-6-10(22-7)12-15-14(18-17-12)16-13(21)11-8(2)19-20(4)9(11)3/h5-6H,1-4H3,(H2,15,16,17,18,21)
InChIKeyIDMBYIFKUATDPD-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.98
Rot. Bonds3

About 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide (PubChem CID 75518079) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
PubChem CID75518079
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3c(C)nn(C)c3C)n[nH]2)o1
InChIInChI=1S/C14H16N6O2/c1-7-5-6-10(22-7)12-15-14(18-17-12)16-13(21)11-8(2)19-20(4)9(11)3/h5-6H,1-4H3,(H2,15,16,17,18,21)
InChIKeyIDMBYIFKUATDPD-UHFFFAOYSA-N
XLogP1.98
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide (CID 75518079) is 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide is Cc1ccc(-c2nc(NC(=O)c3c(C)nn(C)c3C)n[nH]2)o1.
What is the InChIKey of 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is IDMBYIFKUATDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-7-5-6-10(22-7)12-15-14(18-17-12)16-13(21)11-8(2)19-20(4)9(11)3/h5-6H,1-4H3,(H2,15,16,17,18,21).
What are the key properties of 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 75518079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).