1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide

C16H20N4O2 — CID 86991547

IUPAC1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C16H20N4O2/c1-10(2)15(21)18-13-6-5-11(3)14(7-13)19-16(22)12-8-17-20(4)9-12/h5-10H,1-4H3,(H,18,21)(H,19,22)
InChIKeyXNNBDGDTVHIVPW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds4

About 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide

1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide (PubChem CID 86991547) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
PubChem CID86991547
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C16H20N4O2/c1-10(2)15(21)18-13-6-5-11(3)14(7-13)19-16(22)12-8-17-20(4)9-12/h5-10H,1-4H3,(H,18,21)(H,19,22)
InChIKeyXNNBDGDTVHIVPW-UHFFFAOYSA-N
XLogP2.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyridine-3-carboxamide
CID 46475612
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-phenoxybenzamide
CID 55708450
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
CID 131948367
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 46475945
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
1,3-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55720567
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide
CID 112691443
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide (CID 86991547) is 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The InChIKey is XNNBDGDTVHIVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)15(21)18-13-6-5-11(3)14(7-13)19-16(22)12-8-17-20(4)9-12/h5-10H,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide?
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86991547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).