N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide

C19H21N5O — CID 166260857

IUPACN-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide
SMILESCC(C)(C)c1ccnc(NC(=O)Cc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)16-9-11-20-18(21-16)22-17(25)13-14-10-12-24(23-14)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,21,22,25)
InChIKeyGRMCADAPKMPTKS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.14
Rot. Bonds4

About N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide

N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 166260857) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide
PubChem CID166260857
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide
SMILESCC(C)(C)c1ccnc(NC(=O)Cc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C19H21N5O/c1-19(2,3)16-9-11-20-18(21-16)22-17(25)13-14-10-12-24(23-14)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,21,22,25)
InChIKeyGRMCADAPKMPTKS-UHFFFAOYSA-N
XLogP3.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpyrazol-4-yl)-N-(4-tert-butylpyrimidin-2-yl)acetamide
CID 166260859
N-naphthalen-1-yl-2-(1-phenylpyrazol-3-yl)acetamide
CID 174602284
N-[4-(2-methoxyethyl)-2-pyridinyl]-2-(1-phenylpyrazol-3-yl)acetamide
CID 166198652
3-[[2-(1-phenylpyrazol-3-yl)acetyl]amino]benzenesulfonyl fluoride
CID 136543123
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(1-phenylpyrazol-3-yl)acetamide
CID 166379982
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 65264157
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 155947299
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 79790094
N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166322622
N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166231051
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(pyridin-2-ylamino)ethyl]acetamide
CID 71991492
1-tert-butyl-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 119119672

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide (CID 166260857) is N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide is CC(C)(C)c1ccnc(NC(=O)Cc2ccn(-c3ccccc3)n2)n1.
What is the InChIKey of N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is GRMCADAPKMPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-19(2,3)16-9-11-20-18(21-16)22-17(25)13-14-10-12-24(23-14)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,21,22,25).
What are the key properties of N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide?
N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylpyrimidin-2-yl)-2-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 166260857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).