4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide

C20H25N5O — CID 90651231

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C20H25N5O/c1-15-12-16(2)25(23-15)11-7-10-20(26)24(3)14-18-13-19(22-21-18)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22)
InChIKeyZLCXCLUCYPPBQP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.33
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide (PubChem CID 90651231) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide
PubChem CID90651231
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C20H25N5O/c1-15-12-16(2)25(23-15)11-7-10-20(26)24(3)14-18-13-19(22-21-18)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22)
InChIKeyZLCXCLUCYPPBQP-UHFFFAOYSA-N
XLogP3.33
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide 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

N,1,4,6-tetramethyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide
CID 50957301
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 46996473
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72868270
(2S)-N-methyl-2-(methylamino)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]propanamide;hydrochloride
CID 154901670
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31105412
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520
N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 60697714
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
CID 42510788
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
CID 154886914
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 30212377

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide (CID 90651231) is 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide is Cc1cc(C)n(CCCC(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide?
The InChIKey is ZLCXCLUCYPPBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-12-16(2)25(23-15)11-7-10-20(26)24(3)14-18-13-19(22-21-18)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,21,22).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide has a molecular weight of 351.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]butanamide is sourced from PubChem (CID 90651231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).