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

C17H19N5O — CID 19401688

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccc(Cn2cc(NC(=O)Cn3ccc(C)n3)cn2)cc1
InChIInChI=1S/C17H19N5O/c1-13-3-5-15(6-4-13)10-22-11-16(9-18-22)19-17(23)12-21-8-7-14(2)20-21/h3-9,11H,10,12H2,1-2H3,(H,19,23)
InChIKeyLQJOLFUFCFYDSP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds5

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

N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 19401688) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID19401688
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccc(Cn2cc(NC(=O)Cn3ccc(C)n3)cn2)cc1
InChIInChI=1S/C17H19N5O/c1-13-3-5-15(6-4-13)10-22-11-16(9-18-22)19-17(23)12-21-8-7-14(2)20-21/h3-9,11H,10,12H2,1-2H3,(H,19,23)
InChIKeyLQJOLFUFCFYDSP-UHFFFAOYSA-N
XLogP2.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19403930
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea
CID 4862649
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
2-(3-methylpyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 19516801
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 35277254
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489246
3-(3-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19555897
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide (CID 19401688) is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccc(Cn2cc(NC(=O)Cn3ccc(C)n3)cn2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is LQJOLFUFCFYDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13-3-5-15(6-4-13)10-22-11-16(9-18-22)19-17(23)12-21-8-7-14(2)20-21/h3-9,11H,10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19401688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).