N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

C21H23N7O3 — CID 19273300

IUPACN-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cn2cc(NC(=O)c3ccn(COc4ccc(OC)cc4)n3)cn2)cn1
InChIInChI=1S/C21H23N7O3/c1-3-26-12-16(10-22-26)13-28-14-17(11-23-28)24-21(29)20-8-9-27(25-20)15-31-19-6-4-18(30-2)5-7-19/h4-12,14H,3,13,15H2,1-2H3,(H,24,29)
InChIKeyLYGMJJDFIFJVDR-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.64
Rot. Bonds9

About N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273300) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273300
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC NameN-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cn2cc(NC(=O)c3ccn(COc4ccc(OC)cc4)n3)cn2)cn1
InChIInChI=1S/C21H23N7O3/c1-3-26-12-16(10-22-26)13-28-14-17(11-23-28)24-21(29)20-8-9-27(25-20)15-31-19-6-4-18(30-2)5-7-19/h4-12,14H,3,13,15H2,1-2H3,(H,24,29)
InChIKeyLYGMJJDFIFJVDR-UHFFFAOYSA-N
XLogP2.64
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]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-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273301
1-[(4-methoxyphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273060
1-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19404021
1-[(2,4-dimethylphenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275205
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19340083
1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273212
N-(1-benzylpyrazol-4-yl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19397564
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19404073
1-[(4-bromophenoxy)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272431
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273335
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277281

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (CID 19273300) is N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is CCn1cc(Cn2cc(NC(=O)c3ccn(COc4ccc(OC)cc4)n3)cn2)cn1.
What is the InChIKey of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is LYGMJJDFIFJVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-3-26-12-16(10-22-26)13-28-14-17(11-23-28)24-21(29)20-8-9-27(25-20)15-31-19-6-4-18(30-2)5-7-19/h4-12,14H,3,13,15H2,1-2H3,(H,24,29).
What are the key properties of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).