N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide

C19H21N3O2 — CID 100757837

IUPACN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide
SMILESCC(C)c1ccoc1C(=O)NCc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C19H21N3O2/c1-13(2)17-7-8-24-18(17)19(23)20-10-14-5-4-6-15(9-14)16-11-21-22(3)12-16/h4-9,11-13H,10H2,1-3H3,(H,20,23)
InChIKeyHICGUAVACIBCKX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.73
Rot. Bonds5

About N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide

N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide (PubChem CID 100757837) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide
PubChem CID100757837
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide
SMILESCC(C)c1ccoc1C(=O)NCc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C19H21N3O2/c1-13(2)17-7-8-24-18(17)19(23)20-10-14-5-4-6-15(9-14)16-11-21-22(3)12-16/h4-9,11-13H,10H2,1-3H3,(H,20,23)
InChIKeyHICGUAVACIBCKX-UHFFFAOYSA-N
XLogP3.73
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide (CID 100757837) is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide is CC(C)c1ccoc1C(=O)NCc1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide?
The InChIKey is HICGUAVACIBCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)17-7-8-24-18(17)19(23)20-10-14-5-4-6-15(9-14)16-11-21-22(3)12-16/h4-9,11-13H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide?
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-3-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 100757837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).