N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide

C30H27N3O2 — CID 143316446

IUPACN-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCc1ccc(OCc2ccccc2)c(Cn2nc(NC(=O)c3cccc4ccccc34)cc2C)c1
InChIInChI=1S/C30H27N3O2/c1-21-15-16-28(35-20-23-9-4-3-5-10-23)25(17-21)19-33-22(2)18-29(32-33)31-30(34)27-14-8-12-24-11-6-7-13-26(24)27/h3-18H,19-20H2,1-2H3,(H,31,32,34)
InChIKeyJYAPGTCAUGZUFZ-UHFFFAOYSA-N
MW461.57 g/mol
LogP6.53
Rot. Bonds7

About N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide

N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 143316446) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID143316446
Molecular FormulaC30H27N3O2
Molecular Weight461.57 g/mol
Exact Mass461.21
IUPAC NameN-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCc1ccc(OCc2ccccc2)c(Cn2nc(NC(=O)c3cccc4ccccc34)cc2C)c1
InChIInChI=1S/C30H27N3O2/c1-21-15-16-28(35-20-23-9-4-3-5-10-23)25(17-21)19-33-22(2)18-29(32-33)31-30(34)27-14-8-12-24-11-6-7-13-26(24)27/h3-18H,19-20H2,1-2H3,(H,31,32,34)
InChIKeyJYAPGTCAUGZUFZ-UHFFFAOYSA-N
XLogP6.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-(cyclopropylmethyl)-3-(6-ethoxynaphthalen-2-yl)pyrazole-4-carboxamide
CID 162644876
n-(5-Tert-butyl-2-p-tolyl-2h-pyrazol-3-yl)-2-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-2-oxo-acetamide
CID 11376142
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2-methyl-2-phenylpropanamide
CID 11963176
N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylacetamide
CID 44448324
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
CID 44448326
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 44448347
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453701
N-[3-tert-butyl-1-(3-fluoro-4-methylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453727
N-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453730
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453751
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 44453946
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-3-(ethylaminomethyl)benzamide;hydrochloride
CID 44568507

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide (CID 143316446) is N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide is Cc1ccc(OCc2ccccc2)c(Cn2nc(NC(=O)c3cccc4ccccc34)cc2C)c1.
What is the InChIKey of N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is JYAPGTCAUGZUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-21-15-16-28(35-20-23-9-4-3-5-10-23)25(17-21)19-33-22(2)18-29(32-33)31-30(34)27-14-8-12-24-11-6-7-13-26(24)27/h3-18H,19-20H2,1-2H3,(H,31,32,34).
What are the key properties of N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide?
N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-[(5-methyl-2-phenylmethoxyphenyl)methyl]pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 143316446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).