2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide

C17H25N5O2 — CID 118794401

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCc2cc(C(C)(C)C)n[nH]2)c1C
InChIInChI=1S/C17H25N5O2/c1-10-16(12(3)23)11(2)22(21-10)9-15(24)18-8-13-7-14(20-19-13)17(4,5)6/h7H,8-9H2,1-6H3,(H,18,24)(H,19,20)
InChIKeyZMJBDQNKMJLITA-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.04
Rot. Bonds5

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 118794401) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID118794401
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCc2cc(C(C)(C)C)n[nH]2)c1C
InChIInChI=1S/C17H25N5O2/c1-10-16(12(3)23)11(2)22(21-10)9-15(24)18-8-13-7-14(20-19-13)17(4,5)6/h7H,8-9H2,1-6H3,(H,18,24)(H,19,20)
InChIKeyZMJBDQNKMJLITA-UHFFFAOYSA-N
XLogP2.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91796824
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
CID 131922267
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 77081443
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CID 118776267
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CID 54847144
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 118790764
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 90649664
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172657525
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide
CID 91778612
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46963475
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide (CID 118794401) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide is CC(=O)c1c(C)nn(CC(=O)NCc2cc(C(C)(C)C)n[nH]2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is ZMJBDQNKMJLITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-16(12(3)23)11(2)22(21-10)9-15(24)18-8-13-7-14(20-19-13)17(4,5)6/h7H,8-9H2,1-6H3,(H,18,24)(H,19,20).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 118794401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).