N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide

C20H25N5O — CID 39853103

IUPACN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)CCc2cnn(C)c2)c1C
InChIInChI=1S/C20H25N5O/c1-14-7-5-6-8-18(14)13-25-16(3)20(15(2)23-25)22-19(26)10-9-17-11-21-24(4)12-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,26)
InChIKeyQJLPXHWEWINPHR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.16
Rot. Bonds6

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 39853103) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID39853103
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)CCc2cnn(C)c2)c1C
InChIInChI=1S/C20H25N5O/c1-14-7-5-6-8-18(14)13-25-16(3)20(15(2)23-25)22-19(26)10-9-17-11-21-24(4)12-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,26)
InChIKeyQJLPXHWEWINPHR-UHFFFAOYSA-N
XLogP3.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492028
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481204
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17384001
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263843
1-(3,4-dichlorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17379527
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19534194
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
1-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17378273

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 39853103) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide is Cc1ccccc1Cn1nc(C)c(NC(=O)CCc2cnn(C)c2)c1C.
What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is QJLPXHWEWINPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-7-5-6-8-18(14)13-25-16(3)20(15(2)23-25)22-19(26)10-9-17-11-21-24(4)12-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,26).
What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 39853103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).