2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide

C20H24ClN5O — CID 19549578

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCC(C(=O)Nc1ccn(Cc2cccc(C)c2)n1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C20H24ClN5O/c1-5-17(26-15(4)19(21)14(3)23-26)20(27)22-18-9-10-25(24-18)12-16-8-6-7-13(2)11-16/h6-11,17H,5,12H2,1-4H3,(H,22,24,27)
InChIKeyHYAPXNZSGOUTIG-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide (PubChem CID 19549578) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
PubChem CID19549578
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
SMILESCCC(C(=O)Nc1ccn(Cc2cccc(C)c2)n1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C20H24ClN5O/c1-5-17(26-15(4)19(21)14(3)23-26)20(27)22-18-9-10-25(24-18)12-16-8-6-7-13(2)11-16/h6-11,17H,5,12H2,1-4H3,(H,22,24,27)
InChIKeyHYAPXNZSGOUTIG-UHFFFAOYSA-N
XLogP4.30
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]butanamide
CID 19549561
N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549570
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549560
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)butanamide
CID 19549429
2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19551410
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19570464
1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19281654
N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549421
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide (CID 19549578) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide is CCC(C(=O)Nc1ccn(Cc2cccc(C)c2)n1)n1nc(C)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide?
The InChIKey is HYAPXNZSGOUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-5-17(26-15(4)19(21)14(3)23-26)20(27)22-18-9-10-25(24-18)12-16-8-6-7-13(2)11-16/h6-11,17H,5,12H2,1-4H3,(H,22,24,27).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide has a molecular weight of 385.90 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 19549578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).