[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate

C20H23N5O2 — CID 142337250

IUPAC[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCc1c(-c2cnc(COC(=O)C(C)(C)C)nc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C20H23N5O2/c1-13-17(24-25(18(13)21)15-8-6-5-7-9-15)14-10-22-16(23-11-14)12-27-19(26)20(2,3)4/h5-11H,12,21H2,1-4H3
InChIKeyDMXSMKVKXJKTJS-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.31
Rot. Bonds4

About [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate

[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 142337250) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID142337250
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCc1c(-c2cnc(COC(=O)C(C)(C)C)nc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C20H23N5O2/c1-13-17(24-25(18(13)21)15-8-6-5-7-9-15)14-10-22-16(23-11-14)12-27-19(26)20(2,3)4/h5-11H,12,21H2,1-4H3
InChIKeyDMXSMKVKXJKTJS-UHFFFAOYSA-N
XLogP3.31
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methoxy-3-pyridinyl]methyl acetate;formaldehyde;methanamine
CID 145229033
1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol
CID 71041362
ethane;4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine
CID 142337289
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 142337220
[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 139318982
2-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methylpropan-1-ol
CID 71015486
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893
(1-phenyltriazol-4-yl)methyl 2,2-dimethylpropanoate
CID 1478618
N-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]carbamoyl iodide
CID 126735923

Frequently Asked Questions

What is the IUPAC name of [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate (CID 142337250) is [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate is Cc1c(-c2cnc(COC(=O)C(C)(C)C)nc2)nn(-c2ccccc2)c1N.
What is the InChIKey of [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is DMXSMKVKXJKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-17(24-25(18(13)21)15-8-6-5-7-9-15)14-10-22-16(23-11-14)12-27-19(26)20(2,3)4/h5-11H,12,21H2,1-4H3.
What are the key properties of [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate?
[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 365.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)pyrimidin-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 142337250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).