2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide

C19H20N4O3 — CID 28685207

IUPAC2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccccc2NC(=O)c2ccoc2C)n[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-10-14(22-21-12)11-23(3)19(25)16-6-4-5-7-17(16)20-18(24)15-8-9-26-13(15)2/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyUROKMQOUJXHVDK-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide

2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide (PubChem CID 28685207) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
PubChem CID28685207
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccccc2NC(=O)c2ccoc2C)n[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-10-14(22-21-12)11-23(3)19(25)16-6-4-5-7-17(16)20-18(24)15-8-9-26-13(15)2/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyUROKMQOUJXHVDK-UHFFFAOYSA-N
XLogP3.14
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-8-carboxamide
CID 92553486
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
CID 91772290
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 58166088
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
CID 46994415
N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride
CID 120604073
2-methyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]furan-3-carboxamide
CID 122143791
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
CID 119656291

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide (CID 28685207) is 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide is Cc1cc(CN(C)C(=O)c2ccccc2NC(=O)c2ccoc2C)n[nH]1.
What is the InChIKey of 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The InChIKey is UROKMQOUJXHVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-10-14(22-21-12)11-23(3)19(25)16-6-4-5-7-17(16)20-18(24)15-8-9-26-13(15)2/h4-10H,11H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 28685207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).