N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide

C22H26N4O — CID 166208672

IUPACN-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide
SMILESCc1ccc(NC(=O)CC(C)NCc2ccc(-c3ccn[nH]3)cc2)c(C)c1
InChIInChI=1S/C22H26N4O/c1-15-4-9-20(16(2)12-15)25-22(27)13-17(3)23-14-18-5-7-19(8-6-18)21-10-11-24-26-21/h4-12,17,23H,13-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySFNBNZXRPDNVGF-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.20
Rot. Bonds7

About N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide

N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide (PubChem CID 166208672) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide
PubChem CID166208672
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide
SMILESCc1ccc(NC(=O)CC(C)NCc2ccc(-c3ccn[nH]3)cc2)c(C)c1
InChIInChI=1S/C22H26N4O/c1-15-4-9-20(16(2)12-15)25-22(27)13-17(3)23-14-18-5-7-19(8-6-18)21-10-11-24-26-21/h4-12,17,23H,13-14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySFNBNZXRPDNVGF-UHFFFAOYSA-N
XLogP4.20
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide;2,2,2-trifluoroacetic acid
CID 166208671
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
(3S)-N-(2,4-dimethylphenyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 97230768
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
(3R)-N-(2,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708020
(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479
N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
CID 29084327
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,4-dimethylphenyl)-3-[(1,1-dioxothiolan-2-yl)methylamino]butanamide
CID 75471432
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
(3R)-3-[(2-ethoxy-4-pyridinyl)methylamino]-N-(2-methylphenyl)butanamide
CID 97230115
N'-(4-bromo-2-methylphenyl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945836

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide (CID 166208672) is N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide is Cc1ccc(NC(=O)CC(C)NCc2ccc(-c3ccn[nH]3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide?
The InChIKey is SFNBNZXRPDNVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-4-9-20(16(2)12-15)25-22(27)13-17(3)23-14-18-5-7-19(8-6-18)21-10-11-24-26-21/h4-12,17,23H,13-14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide?
N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide has a molecular weight of 362.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide is sourced from PubChem (CID 166208672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).