N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

C22H25N7O3 — CID 19273301

IUPACN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3ccn(COc4ccc(OC)cc4)n3)cn2)c1C
InChIInChI=1S/C22H25N7O3/c1-4-29-16(2)17(11-24-29)13-28-14-18(12-23-28)25-22(30)21-9-10-27(26-21)15-32-20-7-5-19(31-3)6-8-20/h5-12,14H,4,13,15H2,1-3H3,(H,25,30)
InChIKeyAHXGHMBRGQSXSQ-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.95
Rot. Bonds9

About N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273301) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273301
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3ccn(COc4ccc(OC)cc4)n3)cn2)c1C
InChIInChI=1S/C22H25N7O3/c1-4-29-16(2)17(11-24-29)13-28-14-18(12-23-28)25-22(30)21-9-10-27(26-21)15-32-20-7-5-19(31-3)6-8-20/h5-12,14H,4,13,15H2,1-3H3,(H,25,30)
InChIKeyAHXGHMBRGQSXSQ-UHFFFAOYSA-N
XLogP2.95
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(4-methoxyphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273060
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273300
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19271916
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19340332
1-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19404021
1-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19280255
1-[(4-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273212
1-[(4-bromophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272527
1-[(4-fluorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19584734
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273447
N-(1-benzylpyrazol-4-yl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19397564
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273276

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (CID 19273301) is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is CCn1ncc(Cn2cc(NC(=O)c3ccn(COc4ccc(OC)cc4)n3)cn2)c1C.
What is the InChIKey of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is AHXGHMBRGQSXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-4-29-16(2)17(11-24-29)13-28-14-18(12-23-28)25-22(30)21-9-10-27(26-21)15-32-20-7-5-19(31-3)6-8-20/h5-12,14H,4,13,15H2,1-3H3,(H,25,30).
What are the key properties of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).