N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide

C17H23N5O2 — CID 56793742

IUPACN,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
SMILESCC(C)c1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1
InChIInChI=1S/C17H23N5O2/c1-12(2)13-6-5-7-14(8-13)19-17(24)20-15-9-18-22(10-15)11-16(23)21(3)4/h5-10,12H,11H2,1-4H3,(H2,19,20,24)
InChIKeyUHHCNXFEJGVDKH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.74
Rot. Bonds5

About N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide

N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 56793742) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID56793742
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
SMILESCC(C)c1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1
InChIInChI=1S/C17H23N5O2/c1-12(2)13-6-5-7-14(8-13)19-17(24)20-15-9-18-22(10-15)11-16(23)21(3)4/h5-10,12H,11H2,1-4H3,(H2,19,20,24)
InChIKeyUHHCNXFEJGVDKH-UHFFFAOYSA-N
XLogP2.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 136522886
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
1-(dimethylsulfamoyl)-3-(3-propan-2-ylphenyl)urea
CID 134528663
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide (CID 56793742) is N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide is CC(C)c1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1.
What is the InChIKey of N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is UHHCNXFEJGVDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)13-6-5-7-14(8-13)19-17(24)20-15-9-18-22(10-15)11-16(23)21(3)4/h5-10,12H,11H2,1-4H3,(H2,19,20,24).
What are the key properties of N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 56793742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).