1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide

C17H22N4O2 — CID 34595492

IUPAC1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(NC(=O)C(C)C)c2)cnn1C
InChIInChI=1S/C17H22N4O2/c1-11(2)16(22)20-14-7-5-6-13(8-14)9-18-17(23)15-10-19-21(4)12(15)3/h5-8,10-11H,9H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyFSXJRSHKORFDIG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.25
Rot. Bonds5

About 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 34595492) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID34595492
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(NC(=O)C(C)C)c2)cnn1C
InChIInChI=1S/C17H22N4O2/c1-11(2)16(22)20-14-7-5-6-13(8-14)9-18-17(23)15-10-19-21(4)12(15)3/h5-8,10-11H,9H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyFSXJRSHKORFDIG-UHFFFAOYSA-N
XLogP2.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47043704
1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51090455
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 46541622
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide (CID 34595492) is 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(NC(=O)C(C)C)c2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is FSXJRSHKORFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)16(22)20-14-7-5-6-13(8-14)9-18-17(23)15-10-19-21(4)12(15)3/h5-8,10-11H,9H2,1-4H3,(H,18,23)(H,20,22).
What are the key properties of 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 34595492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).