N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

C18H23N5O2 — CID 42291011

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)o1
InChIInChI=1S/C18H23N5O2/c1-12(2)17-19-7-8-23(17)10-14-9-16(21-20-14)18(24)22(4)11-15-6-5-13(3)25-15/h5-9,12H,10-11H2,1-4H3,(H,20,21)
InChIKeyGIDHNWYGAXSXIJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.95
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42291011) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42291011
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)o1
InChIInChI=1S/C18H23N5O2/c1-12(2)17-19-7-8-23(17)10-14-9-16(21-20-14)18(24)22(4)11-15-6-5-13(3)25-15/h5-9,12H,10-11H2,1-4H3,(H,20,21)
InChIKeyGIDHNWYGAXSXIJ-UHFFFAOYSA-N
XLogP2.95
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42291011) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1ccc(CN(C)C(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GIDHNWYGAXSXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)17-19-7-8-23(17)10-14-9-16(21-20-14)18(24)22(4)11-15-6-5-13(3)25-15/h5-9,12H,10-11H2,1-4H3,(H,20,21).
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42291011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).