5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide

C22H28N4O3 — CID 60573967

IUPAC5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cnn(C)c2-n2c(C)ccc2C)cc1OC
InChIInChI=1S/C22H28N4O3/c1-6-11-29-19-10-9-17(12-20(19)28-5)13-23-21(27)18-14-24-25(4)22(18)26-15(2)7-8-16(26)3/h7-10,12,14H,6,11,13H2,1-5H3,(H,23,27)
InChIKeyVLLIFYKDHHJBOW-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.56
Rot. Bonds8

About 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide

5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 60573967) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID60573967
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cnn(C)c2-n2c(C)ccc2C)cc1OC
InChIInChI=1S/C22H28N4O3/c1-6-11-29-19-10-9-17(12-20(19)28-5)13-23-21(27)18-14-24-25(4)22(18)26-15(2)7-8-16(26)3/h7-10,12,14H,6,11,13H2,1-5H3,(H,23,27)
InChIKeyVLLIFYKDHHJBOW-UHFFFAOYSA-N
XLogP3.56
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040686
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46410572
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46482950
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-[(3-methoxy-4-propoxyphenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55635299

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide (CID 60573967) is 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide is CCCOc1ccc(CNC(=O)c2cnn(C)c2-n2c(C)ccc2C)cc1OC.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VLLIFYKDHHJBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-6-11-29-19-10-9-17(12-20(19)28-5)13-23-21(27)18-14-24-25(4)22(18)26-15(2)7-8-16(26)3/h7-10,12,14H,6,11,13H2,1-5H3,(H,23,27).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide?
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60573967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).