2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide

C20H29N5O2 — CID 74232436

IUPAC2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCc1cc(C)n(CCCN(C)C(=O)Nc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C20H29N5O2/c1-15-13-16(2)25(22-15)12-8-11-24(5)20(27)21-18-10-7-6-9-17(18)14-19(26)23(3)4/h6-7,9-10,13H,8,11-12,14H2,1-5H3,(H,21,27)
InChIKeyPKEDTNFDJIXARN-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.68
Rot. Bonds7

About 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide

2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide (PubChem CID 74232436) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
PubChem CID74232436
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
SMILESCc1cc(C)n(CCCN(C)C(=O)Nc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C20H29N5O2/c1-15-13-16(2)25(22-15)12-8-11-24(5)20(27)21-18-10-7-6-9-17(18)14-19(26)23(3)4/h6-7,9-10,13H,8,11-12,14H2,1-5H3,(H,21,27)
InChIKeyPKEDTNFDJIXARN-UHFFFAOYSA-N
XLogP2.68
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide 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

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72868270
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
2-[2-[[ethyl-[(2R)-3-methylbutan-2-yl]carbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 95130239
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124849534
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 70776308
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 8814267
N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 60697714
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide (CID 74232436) is 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide is Cc1cc(C)n(CCCN(C)C(=O)Nc2ccccc2CC(=O)N(C)C)n1.
What is the InChIKey of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide?
The InChIKey is PKEDTNFDJIXARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15-13-16(2)25(22-15)12-8-11-24(5)20(27)21-18-10-7-6-9-17(18)14-19(26)23(3)4/h6-7,9-10,13H,8,11-12,14H2,1-5H3,(H,21,27).
What are the key properties of 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide?
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide has a molecular weight of 371.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 74232436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).