N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide

C26H29N5O — CID 19588309

IUPACN-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)N(C)Cc3ccn(C)n3)c(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C26H29N5O/c1-18-6-10-21(11-7-18)25-20(3)26(22-12-8-19(2)9-13-22)31(28-25)17-24(32)29(4)16-23-14-15-30(5)27-23/h6-15H,16-17H2,1-5H3
InChIKeyNGEODKQNISNTLQ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.53
Rot. Bonds6

About N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide

N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19588309) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19588309
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)N(C)Cc3ccn(C)n3)c(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C26H29N5O/c1-18-6-10-21(11-7-18)25-20(3)26(22-12-8-19(2)9-13-22)31(28-25)17-24(32)29(4)16-23-14-15-30(5)27-23/h6-15H,16-17H2,1-5H3
InChIKeyNGEODKQNISNTLQ-UHFFFAOYSA-N
XLogP4.53
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide (CID 19588309) is N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide is Cc1ccc(-c2nn(CC(=O)N(C)Cc3ccn(C)n3)c(-c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is NGEODKQNISNTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-18-6-10-21(11-7-18)25-20(3)26(22-12-8-19(2)9-13-22)31(28-25)17-24(32)29(4)16-23-14-15-30(5)27-23/h6-15H,16-17H2,1-5H3.
What are the key properties of N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-[(1-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19588309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).