4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide

C18H25N5O2 — CID 167822657

IUPAC4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide
SMILESCC(Nc1ccn(CC(C)(C)C)n1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H25N5O2/c1-12(20-15-9-10-23(22-15)11-18(2,3)4)17(25)21-14-7-5-13(6-8-14)16(19)24/h5-10,12H,11H2,1-4H3,(H2,19,24)(H,20,22)(H,21,25)
InChIKeyXRFYDGJWKHHQOD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.47
Rot. Bonds6

About 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide

4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide (PubChem CID 167822657) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide
PubChem CID167822657
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide
SMILESCC(Nc1ccn(CC(C)(C)C)n1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H25N5O2/c1-12(20-15-9-10-23(22-15)11-18(2,3)4)17(25)21-14-7-5-13(6-8-14)16(19)24/h5-10,12H,11H2,1-4H3,(H2,19,24)(H,20,22)(H,21,25)
InChIKeyXRFYDGJWKHHQOD-UHFFFAOYSA-N
XLogP2.47
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75451889
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
4-[[(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]amino]benzamide
CID 9129619
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide?
The IUPAC name of 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide (CID 167822657) is 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide is CC(Nc1ccn(CC(C)(C)C)n1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide?
The InChIKey is XRFYDGJWKHHQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(20-15-9-10-23(22-15)11-18(2,3)4)17(25)21-14-7-5-13(6-8-14)16(19)24/h5-10,12H,11H2,1-4H3,(H2,19,24)(H,20,22)(H,21,25).
What are the key properties of 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide?
4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(2,2-dimethylpropyl)pyrazol-3-yl]amino]propanoylamino]benzamide is sourced from PubChem (CID 167822657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).