N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide

C22H25N3O3 — CID 35579716

IUPACN-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(Cn2nccc2NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H25N3O3/c1-16(2)15-28-20-10-6-18(7-11-20)22(26)24-21-12-13-23-25(21)14-17-4-8-19(27-3)9-5-17/h4-13,16H,14-15H2,1-3H3,(H,24,26)
InChIKeyGNXLPLNKBPOFJZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.23
Rot. Bonds8

About N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide

N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 35579716) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
PubChem CID35579716
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(Cn2nccc2NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H25N3O3/c1-16(2)15-28-20-10-6-18(7-11-20)22(26)24-21-12-13-23-25(21)14-17-4-8-19(27-3)9-5-17/h4-13,16H,14-15H2,1-3H3,(H,24,26)
InChIKeyGNXLPLNKBPOFJZ-UHFFFAOYSA-N
XLogP4.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
(2S)-2-(4-fluorophenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579924
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanamide
CID 35579932
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 31124402
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 134014290

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide (CID 35579716) is N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide is COc1ccc(Cn2nccc2NC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is GNXLPLNKBPOFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(2)15-28-20-10-6-18(7-11-20)22(26)24-21-12-13-23-25(21)14-17-4-8-19(27-3)9-5-17/h4-13,16H,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide?
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 379.46 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 35579716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).