N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C18H21N5O — CID 167887384

IUPACN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cn[nH]c2-c2ccccc2)c(C)c1C
InChIInChI=1S/C18H21N5O/c1-12-13(2)22-23(14(12)3)11-17(24)19-9-16-10-20-21-18(16)15-7-5-4-6-8-15/h4-8,10H,9,11H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyAWPIMFCWHJJSBV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.51
Rot. Bonds5

About N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 167887384) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID167887384
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCc2cn[nH]c2-c2ccccc2)c(C)c1C
InChIInChI=1S/C18H21N5O/c1-12-13(2)22-23(14(12)3)11-17(24)19-9-16-10-20-21-18(16)15-7-5-4-6-8-15/h4-8,10H,9,11H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyAWPIMFCWHJJSBV-UHFFFAOYSA-N
XLogP2.51
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428114
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428113
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
CID 60663784
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 118795212
6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide
CID 121498985
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 91829160
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
CID 91834645
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489194
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 167887384) is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)NCc2cn[nH]c2-c2ccccc2)c(C)c1C.
What is the InChIKey of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is AWPIMFCWHJJSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-13(2)22-23(14(12)3)11-17(24)19-9-16-10-20-21-18(16)15-7-5-4-6-8-15/h4-8,10H,9,11H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 167887384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).