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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Related Compounds

N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(pyrrolidin-1-yl)acetamide
CID 24768424
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 24768425
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 24768426
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 24768431
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 24768432
5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-[(5-methyl-2-furyl)methyl]-1H-pyrazole-3-carboxamide
CID 42290712
3-(furan-2-yl)-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51104544
N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56738654
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56749917
[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone
CID 97390344
(5-Methylfuran-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467104
5-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazol-4-amine
CID 177643025

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).