3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C27H34N4O2 — CID 46042969

IUPAC3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1cccc(Oc2c(CCC(=O)NCCN3CCCC3)c(C)nn2-c2cccc(C)c2)c1
InChIInChI=1S/C27H34N4O2/c1-20-8-6-10-23(18-20)31-27(33-24-11-7-9-21(2)19-24)25(22(3)29-31)12-13-26(32)28-14-17-30-15-4-5-16-30/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,28,32)
InChIKeyAWGQJULRAABNLP-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.73
Rot. Bonds9

About 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 46042969) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID46042969
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1cccc(Oc2c(CCC(=O)NCCN3CCCC3)c(C)nn2-c2cccc(C)c2)c1
InChIInChI=1S/C27H34N4O2/c1-20-8-6-10-23(18-20)31-27(33-24-11-7-9-21(2)19-24)25(22(3)29-31)12-13-26(32)28-14-17-30-15-4-5-16-30/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,28,32)
InChIKeyAWGQJULRAABNLP-UHFFFAOYSA-N
XLogP4.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-N-prop-2-enylpropanamide
CID 42850633
3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 46042992
N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
CID 46042982
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46042713
3-[5-(3-methoxyphenoxy)-3-methyl-1-(3-methylphenyl)pyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42850635
N-ethyl-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 46043085
N,N-diethyl-3-[3-methyl-5-(4-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]propanamide
CID 42850660
3-[3-methyl-5-(2-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42850672
N'-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-N-(2-piperidin-1-ylethyl)butanediamide
CID 5145991
N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042528
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
CID 39096917
N-cyclopropyl-3-[3-ethyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 46042373

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 46042969) is 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1cccc(Oc2c(CCC(=O)NCCN3CCCC3)c(C)nn2-c2cccc(C)c2)c1.
What is the InChIKey of 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is AWGQJULRAABNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-8-6-10-23(18-20)31-27(33-24-11-7-9-21(2)19-24)25(22(3)29-31)12-13-26(32)28-14-17-30-15-4-5-16-30/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,28,32).
What are the key properties of 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 446.60 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 46042969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).