1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide

C20H25N5O2 — CID 19272925

IUPAC1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)NCCCn3nccc3C)n2)c1
InChIInChI=1S/C20H25N5O2/c1-15-5-6-16(2)19(13-15)27-14-24-12-8-18(23-24)20(26)21-9-4-11-25-17(3)7-10-22-25/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,21,26)
InChIKeyYNXHSJWZNFZFFY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.86
Rot. Bonds8

About 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide

1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide (PubChem CID 19272925) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
PubChem CID19272925
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)NCCCn3nccc3C)n2)c1
InChIInChI=1S/C20H25N5O2/c1-15-5-6-16(2)19(13-15)27-14-24-12-8-18(23-24)20(26)21-9-4-11-25-17(3)7-10-22-25/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,21,26)
InChIKeyYNXHSJWZNFZFFY-UHFFFAOYSA-N
XLogP2.86
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-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-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273004
1-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19276597
1-[(2,5-dimethylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19272997
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275677
N-(cyclopropylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756234
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19272898
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041
1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19272772
1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275783
1-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19582689
N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810
1-[(2,4-dimethylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19275198

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide (CID 19272925) is 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide is Cc1ccc(C)c(OCn2ccc(C(=O)NCCCn3nccc3C)n2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is YNXHSJWZNFZFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-5-6-16(2)19(13-15)27-14-24-12-8-18(23-24)20(26)21-9-4-11-25-17(3)7-10-22-25/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,21,26).
What are the key properties of 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).