3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide

C16H19N5O2 — CID 136553631

IUPAC3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)n1ccc(CNC(=O)c2cn(C)nc2-c2ccco2)n1
InChIInChI=1S/C16H19N5O2/c1-11(2)21-7-6-12(18-21)9-17-16(22)13-10-20(3)19-15(13)14-5-4-8-23-14/h4-8,10-11H,9H2,1-3H3,(H,17,22)
InChIKeyHSRKGELPMUYHCC-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.39
Rot. Bonds5

About 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide

3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 136553631) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID136553631
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)n1ccc(CNC(=O)c2cn(C)nc2-c2ccco2)n1
InChIInChI=1S/C16H19N5O2/c1-11(2)21-7-6-12(18-21)9-17-16(22)13-10-20(3)19-15(13)14-5-4-8-23-14/h4-8,10-11H,9H2,1-3H3,(H,17,22)
InChIKeyHSRKGELPMUYHCC-UHFFFAOYSA-N
XLogP2.39
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-yl)-1-methyl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 167936800
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771807
2-(1,3-dimethylpyrazol-4-yl)-N-[3-(furan-2-yl)-1-methylpyrazol-4-yl]acetamide
CID 136555314
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 146089000
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 154582530
5-(furan-2-yl)-N-(2-propan-2-ylindazol-6-yl)-1H-pyrazole-3-carboxamide
CID 146128437
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657
2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 64771433
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
CID 64772221

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide (CID 136553631) is 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide is CC(C)n1ccc(CNC(=O)c2cn(C)nc2-c2ccco2)n1.
What is the InChIKey of 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is HSRKGELPMUYHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11(2)21-7-6-12(18-21)9-17-16(22)13-10-20(3)19-15(13)14-5-4-8-23-14/h4-8,10-11H,9H2,1-3H3,(H,17,22).
What are the key properties of 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide?
3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 136553631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).