2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide

C19H22BrN5O2 — CID 19551481

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1cnn(COc2ccc(C)cc2C)c1)n1cc(Br)cn1
InChIInChI=1S/C19H22BrN5O2/c1-4-17(25-10-15(20)8-22-25)19(26)23-16-9-21-24(11-16)12-27-18-6-5-13(2)7-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,23,26)
InChIKeyKBIIPCPRCQUNMI-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.09
Rot. Bonds7

About 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide

2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide (PubChem CID 19551481) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide
PubChem CID19551481
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1cnn(COc2ccc(C)cc2C)c1)n1cc(Br)cn1
InChIInChI=1S/C19H22BrN5O2/c1-4-17(25-10-15(20)8-22-25)19(26)23-16-9-21-24(11-16)12-27-18-6-5-13(2)7-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,23,26)
InChIKeyKBIIPCPRCQUNMI-UHFFFAOYSA-N
XLogP4.09
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19524745
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474706
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538944
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 19551375
3-(4-chloropyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19539672
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480845
2-(4-chloropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19549284
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide
CID 19551400
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19524132
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551422
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19526260
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276061

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide (CID 19551481) is 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide is CCC(C(=O)Nc1cnn(COc2ccc(C)cc2C)c1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide?
The InChIKey is KBIIPCPRCQUNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c1-4-17(25-10-15(20)8-22-25)19(26)23-16-9-21-24(11-16)12-27-18-6-5-13(2)7-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide?
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide has a molecular weight of 432.32 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 19551481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).