(1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

C23H28N6O2 — CID 56650707

IUPAC(1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)ncn1
InChIInChI=1S/C23H28N6O2/c1-17(2)15-31-22-14-21(24-16-25-22)28-9-11-29(12-10-28)23(30)19-13-20(27(3)26-19)18-7-5-4-6-8-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3
InChIKeyNLPWAZIRIUGJIS-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.87
Rot. Bonds6

About (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

(1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 56650707) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID56650707
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name(1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)ncn1
InChIInChI=1S/C23H28N6O2/c1-17(2)15-31-22-14-21(24-16-25-22)28-9-11-29(12-10-28)23(30)19-13-20(27(3)26-19)18-7-5-4-6-8-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3
InChIKeyNLPWAZIRIUGJIS-UHFFFAOYSA-N
XLogP2.87
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,1-benzoxazol-3-yl-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 66747786
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
[2-hydroxy-4-(trifluoromethyl)phenyl]-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56653091
tert-butyl-[2-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 66747782
2-[3-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]-3H-isoindol-1-one
CID 56653805
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
tert-butyl N-[(1R)-2-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 56640791
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 56650707) is (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is CC(C)COc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)ncn1.
What is the InChIKey of (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is NLPWAZIRIUGJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-17(2)15-31-22-14-21(24-16-25-22)28-9-11-29(12-10-28)23(30)19-13-20(27(3)26-19)18-7-5-4-6-8-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3.
What are the key properties of (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
(1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 420.52 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-phenylpyrazol-3-yl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 56650707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).