N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

C24H25N5O2 — CID 19277385

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C24H25N5O2/c1-17-9-7-8-12-23(17)31-16-28-14-13-22(27-28)24(30)25-15-21-18(2)26-29(19(21)3)20-10-5-4-6-11-20/h4-14H,15-16H2,1-3H3,(H,25,30)
InChIKeyHNJGSOHNPJKLHB-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.96
Rot. Bonds7

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19277385) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19277385
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C24H25N5O2/c1-17-9-7-8-12-23(17)31-16-28-14-13-22(27-28)24(30)25-15-21-18(2)26-29(19(21)3)20-10-5-4-6-11-20/h4-14H,15-16H2,1-3H3,(H,25,30)
InChIKeyHNJGSOHNPJKLHB-UHFFFAOYSA-N
XLogP3.96
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19274397
1-[(2-chloro-4-nitrophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19276749
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756236
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
methyl 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyridine-3-carboxylate
CID 134039468
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325897
2-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024355
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277379
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (CID 19277385) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccccc1OCn1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is HNJGSOHNPJKLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-9-7-8-12-23(17)31-16-28-14-13-22(27-28)24(30)25-15-21-18(2)26-29(19(21)3)20-10-5-4-6-11-20/h4-14H,15-16H2,1-3H3,(H,25,30).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).